# generated using pymatgen
data_Cr2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42682300
_cell_length_b   10.75790800
_cell_length_c   12.23756700
_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   451.14337234
_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  0.25000000  0.04683500  0.12409100  1.0
  Cr  Cr1  1  0.75000000  0.95316500  0.87590900  1.0
  Cr  Cr2  1  0.75000000  0.45316500  0.62409100  1.0
  Cr  Cr3  1  0.25000000  0.54683500  0.37590900  1.0
  Cr  Cr4  1  0.25000000  0.10246700  0.58685900  1.0
  Cr  Cr5  1  0.75000000  0.89753300  0.41314100  1.0
  Cr  Cr6  1  0.75000000  0.39753300  0.08685900  1.0
  Cr  Cr7  1  0.25000000  0.60246700  0.91314100  1.0
  Cu  Cu8  1  0.25000000  0.26476200  0.33895000  1.0
  Cu  Cu9  1  0.75000000  0.73523800  0.66105000  1.0
  Cu  Cu10  1  0.75000000  0.23523800  0.83895000  1.0
  Cu  Cu11  1  0.25000000  0.76476200  0.16105000  1.0
  S  S12  1  0.75000000  0.07134900  0.71475300  1.0
  S  S13  1  0.25000000  0.92865100  0.28524700  1.0
  S  S14  1  0.25000000  0.42865100  0.21475300  1.0
  S  S15  1  0.75000000  0.57134900  0.78524700  1.0
  S  S16  1  0.25000000  0.09499600  0.93711500  1.0
  S  S17  1  0.75000000  0.90500400  0.06288500  1.0
  S  S18  1  0.75000000  0.40500400  0.43711500  1.0
  S  S19  1  0.25000000  0.59499600  0.56288500  1.0
  S  S20  1  0.75000000  0.11666600  0.44950800  1.0
  S  S21  1  0.25000000  0.88333400  0.55049200  1.0
  S  S22  1  0.25000000  0.38333400  0.94950800  1.0
  S  S23  1  0.75000000  0.61666600  0.05049200  1.0
  S  S24  1  0.75000000  0.18663200  0.16362400  1.0
  S  S25  1  0.25000000  0.81336800  0.83637600  1.0
  S  S26  1  0.25000000  0.31336800  0.66362400  1.0
  S  S27  1  0.75000000  0.68663200  0.33637600  1.0