data_[Nd4Ir4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5242]
_cell_length_b [4.3443]
_cell_length_c [11.1032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdIrBr]
_chemical_formula_sum '[Nd4 Ir4 Br4]'
_cell_volume [362.7868]
_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  0.0071  0.0000  0.6703  1.0
  Ir  Ir1  4  0.1665  0.5000  0.4963  1.0
  Br  Br2  4  0.1808  0.5000  0.8372  1.0
]