# generated using pymatgen
data_La2NiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.88380634
_cell_length_b   12.88380634
_cell_length_c   12.88380634
_cell_angle_alpha   136.80229053
_cell_angle_beta   114.85150769
_cell_angle_gamma   81.41572453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiIr
_chemical_formula_sum   'La2 Ni1 Ir1'
_cell_volume   1285.16520243
_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
  La  La0  1  0.00000000  0.24455700  0.24455700  1.0
  La  La1  1  0.00000000  0.75544300  0.75544200  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.00000000  0.50000000  0.50000000  1.0