# generated using pymatgen
data_Ca(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30841072
_cell_length_b   7.30841072
_cell_length_c   7.30841126
_cell_angle_alpha   55.29197551
_cell_angle_beta   55.29197551
_cell_angle_gamma   55.29197388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CoS2)4
_chemical_formula_sum   'Ca1 Co4 S8'
_cell_volume   245.82852558
_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  0.50000000  0.50000000  0.50000000  1.0
  Co  Co1  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co2  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co3  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.26814300  0.77333800  0.77333800  1.0
  S  S6  1  0.22666200  0.22666200  0.73185700  1.0
  S  S7  1  0.73185700  0.22666200  0.22666200  1.0
  S  S8  1  0.22666200  0.73185700  0.22666200  1.0
  S  S9  1  0.27183000  0.27183000  0.27183000  1.0
  S  S10  1  0.72817000  0.72817000  0.72817000  1.0
  S  S11  1  0.77333800  0.26814300  0.77333800  1.0
  S  S12  1  0.77333800  0.77333800  0.26814300  1.0