data_[Nd4Ho4Nb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8805]
_cell_length_b [4.9740]
_cell_length_c [5.2516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHoNb]
_chemical_formula_sum '[Nd4 Ho4 Nb4]'
_cell_volume [336.4322]
_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  0.1043  0.5000  0.7214  1
  Ho  Ho1  4  0.1084  0.0000  0.2743  1
  Nb  Nb2  4  0.2499  0.5000  0.1661  1
]