#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/22/1522263.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1522263
loop_
_publ_author_name
'Yamada, Y.'
'Ye, J.'
'Horii, S.'
'Matsushita, A.'
'Kubo, S.'
_publ_section_title
;
 Crystal structure in Pr Ba2 Cu4 O8 single crystals
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              191
_journal_page_last               194
_journal_volume                  62
_journal_year                    2001
_chemical_formula_sum            'Ba2 Cu4 O8 Pr'
_chemical_name_systematic        'Pr Ba2 Cu4 O8'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8837
_cell_length_b                   3.90269
_cell_length_c                   27.293
_cell_volume                     413.677
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Yamada_JPCSAW_2001_1635.cif
_cod_data_source_block           Ba2Cu4O8Pr1
_cod_original_cell_volume        413.6766
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_original_formula_sum        'Ba2 Cu4 O8 Pr1'
_cod_database_code               1522263
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-z
x,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x,y+1/2,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.5 0 0.0552 1 0.0
Pr1 Pr+3 0.5 0.5 0 1 0.0
Cu1 Cu+2 0 0 0.21338 1 0.0
Cu2 Cu+2 0 0 0.06426 1 0.0
O4 O-2 0 0.5 0.2179 1 0.0
O3 O-2 0 0.5 0.0549 1 0.0
O1 O-2 0 0 0.1461 1 0.0
Ba1 Ba+2 0.5 0.5 0.13625 1 0.0
