# generated using pymatgen
data_Ca(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82221620
_cell_length_b   6.82221620
_cell_length_c   6.82221595
_cell_angle_alpha   61.19466431
_cell_angle_beta   61.19466431
_cell_angle_gamma   61.19466104
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CoS2)4
_chemical_formula_sum   'Ca1 Co4 S8'
_cell_volume   230.55713406
_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
  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co2  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co3  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co4  1  0.00000000  0.50000000  0.50000000  1.0
  S  S5  1  0.72840200  0.30513900  0.72840200  1.0
  S  S6  1  0.72840200  0.72840200  0.30513900  1.0
  S  S7  1  0.30513900  0.72840200  0.72840200  1.0
  S  S8  1  0.73327200  0.73327200  0.73327200  1.0
  S  S9  1  0.26672800  0.26672800  0.26672800  1.0
  S  S10  1  0.27159800  0.27159800  0.69486100  1.0
  S  S11  1  0.69486100  0.27159800  0.27159800  1.0
  S  S12  1  0.27159800  0.69486100  0.27159800  1.0