data_global
_amcsd_formula_title 'Cr Cu P2 S6'
loop_
_publ_author_name
'Maisonneuve V'
'Cajipe V'
'Payen C'
_journal_name_full 'Chemistry of Materials'
_journal_volume 5 
_journal_year 1993
_journal_page_first 758
_journal_page_last 760
_publ_section_title
;
 Low-temperature neutron powder diffraction study of CuCrP2S6:
 observation of an ordered, antipolar copper sublattice
 _cod_database_code 1000355
;
_database_code_amcsd 0012200
_chemical_formula_sum 'Cu Cr P2 S6'
_cell_length_a 5.935
_cell_length_b 10.282
_cell_length_c 13.368
_cell_angle_alpha 90
_cell_angle_beta 106.78
_cell_angle_gamma 90
_cell_volume 781.029
_exptl_crystal_density_diffrn      3.146
_symmetry_space_group_name_H-M 'P 1 b 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.07100   0.00000   0.35500
Cu2   0.44100   0.49600   0.14800
Cr1   0.00000   0.33200   0.25000
Cr2   0.52700   0.83000   0.24600
P1   0.07900   0.33700   0.82700
P2   0.54500   0.83800   0.81700
P3   0.95400   0.66800   0.15400
P4   0.45700   0.83700   0.64500
S1   0.72500   0.99600   0.37100
S2   0.24700   0.49100   0.36800
S3   0.29000   0.01100   0.62500
S4   0.80200   0.49100   0.11800
S5   0.28800   0.17600   0.86700
S6   0.75700   0.68200   0.86900
S7   0.73900   0.82600   0.11500
S8   0.23000   0.68400   0.62600
S9   0.26100   0.18300   0.37200
S10   0.76800   0.66800   0.36200
S11   0.78600   0.83200   0.62700
S12   0.26300   0.68800   0.11900