# generated using pymatgen
data_Cr2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.30959300
_cell_length_b   3.40828400
_cell_length_c   11.80132400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuS4
_chemical_formula_sum   'Cr8 Cu4 S16'
_cell_volume   454.89743275
_cell_formula_units_Z   4
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  0.10971700  0.25000000  0.07991900  1.0
  Cr  Cr1  1  0.89028300  0.75000000  0.92008100  1.0
  Cr  Cr2  1  0.39028300  0.75000000  0.57991900  1.0
  Cr  Cr3  1  0.60971700  0.25000000  0.42008100  1.0
  Cr  Cr4  1  0.14408400  0.25000000  0.70590700  1.0
  Cr  Cr5  1  0.85591600  0.75000000  0.29409300  1.0
  Cr  Cr6  1  0.35591600  0.75000000  0.20590700  1.0
  Cr  Cr7  1  0.64408400  0.25000000  0.79409300  1.0
  Cu  Cu8  1  0.12476900  0.75000000  0.42333600  1.0
  Cu  Cu9  1  0.87523100  0.25000000  0.57666400  1.0
  Cu  Cu10  1  0.37523100  0.25000000  0.92333600  1.0
  Cu  Cu11  1  0.62476900  0.75000000  0.07666400  1.0
  S  S12  1  0.03294600  0.75000000  0.61377800  1.0
  S  S13  1  0.96705400  0.25000000  0.38622200  1.0
  S  S14  1  0.46705400  0.25000000  0.11377800  1.0
  S  S15  1  0.53294600  0.75000000  0.88622200  1.0
  S  S16  1  0.03175000  0.25000000  0.88177100  1.0
  S  S17  1  0.96825000  0.75000000  0.11822900  1.0
  S  S18  1  0.46825000  0.75000000  0.38177100  1.0
  S  S19  1  0.53175000  0.25000000  0.61822900  1.0
  S  S20  1  0.21422200  0.25000000  0.25350800  1.0
  S  S21  1  0.78577800  0.75000000  0.74649200  1.0
  S  S22  1  0.28577800  0.75000000  0.75350800  1.0
  S  S23  1  0.71422200  0.25000000  0.24649200  1.0
  S  S24  1  0.24763200  0.75000000  0.02988000  1.0
  S  S25  1  0.75236800  0.25000000  0.97012000  1.0
  S  S26  1  0.25236800  0.25000000  0.52988000  1.0
  S  S27  1  0.74763200  0.75000000  0.47012000  1.0