# generated using pymatgen
data_CsNiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20877398
_cell_length_b   7.20878030
_cell_length_c   5.94015344
_cell_angle_alpha   90.00000375
_cell_angle_beta   90.00001846
_cell_angle_gamma   120.00003263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNiCl3
_chemical_formula_sum   'Cs2 Ni2 Cl6'
_cell_volume   267.33224842
_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
  Cs  Cs0  1  0.66666700  0.33333300  0.25000000  1.0
  Cs  Cs1  1  0.33333300  0.66666700  0.75000000  1.0
  Ni  Ni2  1  -0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  -0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl4  1  0.84794685  0.69589269  0.75000100  1.0
  Cl  Cl5  1  0.15205315  0.84794685  0.24999900  1.0
  Cl  Cl6  1  0.69589269  0.84794685  0.24999900  1.0
  Cl  Cl7  1  0.30410731  0.15205315  0.75000100  1.0
  Cl  Cl8  1  0.15205315  0.30410731  0.24999900  1.0
  Cl  Cl9  1  0.84794685  0.15205315  0.75000100  1.0