# generated using pymatgen
data_Ca(NiS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03876300
_cell_length_b   7.08724967
_cell_length_c   7.16485426
_cell_angle_alpha   89.12715110
_cell_angle_beta   119.11696814
_cell_angle_gamma   118.40919523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiS2)2
_chemical_formula_sum   'Ca2 Ni4 S8'
_cell_volume   263.54754051
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.50000000  1.0
  S  S6  1  0.05803800  0.77860300  0.31942500  1.0
  S  S7  1  0.02370300  0.76219900  0.72664600  1.0
  S  S8  1  0.45451400  0.18215200  0.72579600  1.0
  S  S9  1  0.52619600  0.24406000  0.24398000  1.0
  S  S10  1  0.54548600  0.81784800  0.27420400  1.0
  S  S11  1  0.97629700  0.23780100  0.27335400  1.0
  S  S12  1  0.47380400  0.75594000  0.75602000  1.0
  S  S13  1  0.94196200  0.22139700  0.68057500  1.0