# generated using pymatgen
data_Cr2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23951058
_cell_length_b   7.21221344
_cell_length_c   12.00054802
_cell_angle_alpha   81.88320217
_cell_angle_beta   85.29385000
_cell_angle_gamma   90.36471855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuS4
_chemical_formula_sum   'Cr8 Cu4 S16'
_cell_volume   532.73234597
_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  0.14509700  0.70009100  0.70524500  1.0
  Cr  Cr1  1  0.85490300  0.29990900  0.29475500  1.0
  Cr  Cr2  1  0.24313100  0.87798400  0.99947000  1.0
  Cr  Cr3  1  0.75686900  0.12201600  0.00053000  1.0
  Cr  Cr4  1  0.36889900  0.55269300  0.29403500  1.0
  Cr  Cr5  1  0.63110100  0.44730700  0.70596500  1.0
  Cr  Cr6  1  0.37209400  0.04968400  0.29677900  1.0
  Cr  Cr7  1  0.62790600  0.95031600  0.70322100  1.0
  Cu  Cu8  1  0.12823300  0.20103100  0.70565300  1.0
  Cu  Cu9  1  0.87176700  0.79896900  0.29434700  1.0
  Cu  Cu10  1  0.25068800  0.37301400  0.99914300  1.0
  Cu  Cu11  1  0.74931200  0.62698600  0.00085700  1.0
  S  S12  1  0.10341000  0.65292500  0.89104700  1.0
  S  S13  1  0.89659000  0.34707500  0.10895300  1.0
  S  S14  1  0.09832500  0.14602000  0.89813600  1.0
  S  S15  1  0.90167500  0.85398000  0.10186400  1.0
  S  S16  1  0.19709200  0.78201700  0.36856000  1.0
  S  S17  1  0.80290800  0.21798300  0.63144000  1.0
  S  S18  1  0.18288300  0.28420800  0.36595600  1.0
  S  S19  1  0.81711700  0.71579200  0.63404400  1.0
  S  S20  1  0.31008900  0.96778400  0.63158900  1.0
  S  S21  1  0.68991100  0.03221600  0.36841100  1.0
  S  S22  1  0.31372800  0.46757500  0.63304100  1.0
  S  S23  1  0.68627200  0.53242500  0.36695900  1.0
  S  S24  1  0.40487400  0.09481400  0.10708800  1.0
  S  S25  1  0.59512600  0.90518600  0.89291200  1.0
  S  S26  1  0.39346400  0.60177900  0.10708500  1.0
  S  S27  1  0.60653600  0.39822100  0.89291500  1.0