# generated using pymatgen
data_Cr2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95293818
_cell_length_b   6.95293264
_cell_length_c   6.95294779
_cell_angle_alpha   60.00078116
_cell_angle_beta   60.00070537
_cell_angle_gamma   60.00080811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuS4
_chemical_formula_sum   'Cr4 Cu2 S8'
_cell_volume   237.68287476
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.12499972  0.12499963  0.12499981  1.0
  Cr  Cr1  1  0.62500042  0.12499964  0.12499990  1.0
  Cr  Cr2  1  0.12499965  0.12500003  0.62500053  1.0
  Cr  Cr3  1  0.12499967  0.62500030  0.12499991  1.0
  Cu  Cu4  1  0.49999886  0.49999963  0.50000095  1.0
  Cu  Cu5  1  0.75000107  0.75000066  0.74999863  1.0
  S  S6  1  0.36781953  0.36781932  0.36782056  1.0
  S  S7  1  0.35346115  0.88217937  0.88217901  1.0
  S  S8  1  0.88217988  0.88217985  0.35346066  1.0
  S  S9  1  0.88217953  0.35346115  0.88217922  1.0
  S  S10  1  0.36781990  0.36781971  0.89653986  1.0
  S  S11  1  0.36782006  0.89653930  0.36782101  1.0
  S  S12  1  0.88218042  0.88218028  0.88217915  1.0
  S  S13  1  0.89653913  0.36782013  0.36782079  1.0