data_[Nd4Bi4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7403]
_cell_length_b [3.5719]
_cell_length_c [8.1242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdBiRu]
_chemical_formula_sum '[Nd4 Bi4 Ru4]'
_cell_volume [311.6284]
_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  0.1393  0.5000  0.1497  1
  Bi  Bi1  4  0.1318  0.5000  0.6051  1
  Ru  Ru2  4  0.0801  0.0000  0.8551  1
]