data_[Nd4Np4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Np  1.3600  1.7500  1.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9036]
_cell_length_b [3.8861]
_cell_length_c [7.9948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdNpIr]
_chemical_formula_sum '[Nd4 Np4 Ir4]'
_cell_volume [275.9591]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.0795  0.5000  0.3636  1
  Np  Np1  4  0.1213  0.0000  0.0437  1
  Ir  Ir2  4  0.1705  0.0000  0.7276  1
]