# generated using pymatgen
data_Ca(FeS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25986526
_cell_length_b   7.25986526
_cell_length_c   7.25986526
_cell_angle_alpha   121.40026535
_cell_angle_beta   121.40026535
_cell_angle_gamma   87.59131113
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(FeS2)2
_chemical_formula_sum   'Ca2 Fe4 S8'
_cell_volume   264.58388978
_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  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.25000000  0.75000000  0.50000000  1.0
  Fe  Fe2  1  0.87500000  0.12500000  0.25000000  1.0
  Fe  Fe3  1  0.37500000  0.12500000  0.25000000  1.0
  Fe  Fe4  1  0.87500000  0.62500000  0.75000000  1.0
  Fe  Fe5  1  0.87500000  0.12500000  0.75000000  1.0
  S  S6  1  0.69295700  0.90390300  0.78905400  1.0
  S  S7  1  0.09609700  0.88515100  0.78905400  1.0
  S  S8  1  0.09609700  0.30704300  0.21094600  1.0
  S  S9  1  0.05704300  0.34609700  0.71094600  1.0
  S  S10  1  0.63515100  0.34609700  0.28905400  1.0
  S  S11  1  0.65390300  0.36484900  0.71094600  1.0
  S  S12  1  0.11484900  0.90390300  0.21094600  1.0
  S  S13  1  0.65390300  0.94295700  0.28905400  1.0