# generated using pymatgen
data_Ca(CrS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07666560
_cell_length_b   7.07666560
_cell_length_c   7.07666531
_cell_angle_alpha   61.11327202
_cell_angle_beta   61.11327202
_cell_angle_gamma   61.11327644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CrS2)4
_chemical_formula_sum   'Ca1 Cr4 S8'
_cell_volume   256.87334637
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr3  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr4  1  0.00000000  0.50000000  0.50000000  1.0
  S  S5  1  0.73399900  0.28752700  0.73399900  1.0
  S  S6  1  0.73399900  0.73399900  0.28752700  1.0
  S  S7  1  0.28752700  0.73399900  0.73399900  1.0
  S  S8  1  0.73767700  0.73767700  0.73767700  1.0
  S  S9  1  0.26232300  0.26232300  0.26232300  1.0
  S  S10  1  0.26600100  0.26600100  0.71247300  1.0
  S  S11  1  0.71247300  0.26600100  0.26600100  1.0
  S  S12  1  0.26600100  0.71247300  0.26600100  1.0