#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/64/1536450.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_1536450
loop_
_publ_author_name
'Welk, E.'
'Schuster, H.U.'
_publ_section_title
;
 Zur Kenntnis der Phase Li Fe6 Ge6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              193
_journal_page_last               197
_journal_volume                  424
_journal_year                    1976
_chemical_formula_sum            'Fe6 Ge6 Li'
_chemical_name_systematic        'Li Fe6 Ge6'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.744
_cell_length_b                   8.744
_cell_length_c                   8.033
_cell_volume                     531.898
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Welk_ZAACAB_1976_1477.cif
_cod_data_source_block           Fe6Ge6Li1
_cod_original_cell_volume        531.8984
_cod_original_formula_sum        'Fe6 Ge6 Li1'
_cod_database_code               1536450
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
x,x-y,z
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
Ge2 Ge 0.333 0 0.5 1 0.0
Li1 Li 0.3333 0.6667 0 1 0.0
Li2 Li 0 0 0.5 1 0.0
Ge3 Ge 0.3333 0.6667 0.3486 1 0.0
Fe1 Fe 0.1665 0.333 0.246 1 0.0
Ge1 Ge 0.333 0 0 1 0.0
Fe2 Fe 0.5 0 0.25 1 0.0
Ge4 Ge 0 0 0.1514 1 0.0
