# generated using pymatgen
data_Ni(IrCl4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56764267
_cell_length_b   11.03881305
_cell_length_c   6.10273721
_cell_angle_alpha   79.18189639
_cell_angle_beta   69.60694103
_cell_angle_gamma   30.99141524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(IrCl4)3
_chemical_formula_sum   'Ni1 Ir3 Cl12'
_cell_volume   366.02202333
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.41676093  0.41676093  0.58323907  1.0
  Ir  Ir1  1  0.83417509  0.83417509  0.66582491  1.0
  Ir  Ir2  1  0.66644255  0.66644255  0.83355745  1.0
  Ir  Ir3  1  0.58271562  0.58271562  0.41728438  1.0
  Cl  Cl4  1  0.72459129  0.27851101  0.27204541  1.0
  Cl  Cl5  1  0.88736141  0.43671774  0.08812435  1.0
  Cl  Cl6  1  0.36138273  0.81322700  0.16180363  1.0
  Cl  Cl7  1  0.43671774  0.88736141  0.58779550  1.0
  Cl  Cl8  1  0.15883069  0.66368451  0.36235254  1.0
  Cl  Cl9  1  0.27851101  0.72459129  0.72485130  1.0
  Cl  Cl10  1  0.52521062  0.97491232  0.97190016  1.0
  Cl  Cl11  1  0.97491232  0.52521062  0.52797690  1.0
  Cl  Cl12  1  0.08033562  0.59513885  0.89117444  1.0
  Cl  Cl13  1  0.81322700  0.36138273  0.66358664  1.0
  Cl  Cl14  1  0.66368451  0.15883069  0.81513325  1.0
  Cl  Cl15  1  0.59513885  0.08033562  0.43335009  1.0