# generated using pymatgen
data_Ca(NiS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34373972
_cell_length_b   7.34373972
_cell_length_c   7.34373972
_cell_angle_alpha   123.23154443
_cell_angle_beta   123.23154443
_cell_angle_gamma   84.48837856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiS2)2
_chemical_formula_sum   'Ca2 Ni4 S8'
_cell_volume   265.03125116
_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
  Ni  Ni2  1  0.87500000  0.12500000  0.25000000  1.0
  Ni  Ni3  1  0.37500000  0.12500000  0.25000000  1.0
  Ni  Ni4  1  0.87500000  0.62500000  0.75000000  1.0
  Ni  Ni5  1  0.87500000  0.12500000  0.75000000  1.0
  S  S6  1  0.69128700  0.90053100  0.79075600  1.0
  S  S7  1  0.09946900  0.89022500  0.79075600  1.0
  S  S8  1  0.09946900  0.30871300  0.20924400  1.0
  S  S9  1  0.05871300  0.34946900  0.70924400  1.0
  S  S10  1  0.64022500  0.34946900  0.29075600  1.0
  S  S11  1  0.65053100  0.35977500  0.70924400  1.0
  S  S12  1  0.10977500  0.90053100  0.20924400  1.0
  S  S13  1  0.65053100  0.94128700  0.29075600  1.0