# generated using pymatgen
data_Ba2Ni2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25452893
_cell_length_b   4.25452785
_cell_length_c   9.47586433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ni2Ir
_chemical_formula_sum   'Ba2 Ni2 Ir1'
_cell_volume   148.54305349
_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
  Ba  Ba0  1  0.33333400  0.66666800  0.73277598  1.0
  Ba  Ba1  1  0.66666700  0.33333400  0.26722302  1.0
  Ni  Ni2  1  0.33333400  0.66666800  0.03351378  1.0
  Ni  Ni3  1  0.66666700  0.33333400  0.96648622  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.00000000  1.0