data_[Ta2Ni2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6579]
_cell_length_b [4.5261]
_cell_length_c [4.6997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaNiIr]
_chemical_formula_sum '[Ta2 Ni2 Ir2]'
_cell_volume [88.1668]
_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
[
  Ta  Ta0  2  0.4920  0.7500  0.7745  1.0
  Ni  Ni1  2  0.1433  0.2500  0.5054  1.0
  Ir  Ir2  2  0.1830  0.7500  0.1494  1.0
]