# generated using pymatgen
data_Ca(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23581448
_cell_length_b   7.23581448
_cell_length_c   7.23581448
_cell_angle_alpha   120.38425664
_cell_angle_beta   119.79142668
_cell_angle_gamma   89.84868978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(FeS2)2
_chemical_formula_sum   'Ca2 Fe4 S8'
_cell_volume   267.51863952
_cell_formula_units_Z   2
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  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe2  1  0.87012900  0.62012900  0.25000000  1.0
  Fe  Fe3  1  0.12987100  0.37987100  0.75000000  1.0
  Fe  Fe4  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1.0
  S  S6  1  0.29994600  0.26245600  0.03749000  1.0
  S  S7  1  0.72496700  0.26245600  0.46251000  1.0
  S  S8  1  0.27278100  0.29397500  0.52119300  1.0
  S  S9  1  0.70005400  0.73754400  0.96251000  1.0
  S  S10  1  0.72721900  0.24841200  0.02119300  1.0
  S  S11  1  0.27503300  0.73754400  0.53749000  1.0
  S  S12  1  0.27278100  0.75158800  0.97880700  1.0
  S  S13  1  0.72721900  0.70602500  0.47880700  1.0