# generated using pymatgen
data_PaTa(Ni2Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46044092
_cell_length_b   5.46044162
_cell_length_c   4.33742329
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.93437662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaTa(Ni2Ir)2
_chemical_formula_sum   'Pa1 Ta1 Ni4 Ir2'
_cell_volume   113.18318127
_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
  Pa  Pa0  1  0.33612402  0.66387598  0.00000000  1.0
  Ta  Ta1  1  0.66733313  0.33266687  0.50000000  1.0
  Ni  Ni2  1  0.83867121  0.16132879  0.00000000  1.0
  Ni  Ni3  1  0.13851860  0.30106993  0.50000000  1.0
  Ni  Ni4  1  0.69893007  0.86148140  0.50000000  1.0
  Ni  Ni5  1  0.15605802  0.84394198  0.50000000  1.0
  Ir  Ir6  1  0.83977484  0.67564889  0.00000000  1.0
  Ir  Ir7  1  0.32435111  0.16022516  0.00000000  1.0