data_[Nd12Co4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4488]
_cell_length_b [3.9688]
_cell_length_c [8.3955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3CoIr]
_chemical_formula_sum '[Nd12 Co4 Ir4]'
_cell_volume [514.1905]
_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  0.0527  0.0000  0.8253  1.0
  Nd  Nd1  4  0.1040  0.5000  0.4465  1.0
  Nd  Nd2  4  0.2344  0.0000  0.1842  1.0
  Co  Co3  4  0.2151  0.0000  0.5487  1.0
  Ir  Ir4  4  0.1008  0.5000  0.0685  1.0
]