data_[Nd4Ho6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3467]
_cell_length_b [5.0921]
_cell_length_c [7.9962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ho3]
_chemical_formula_sum '[Nd4 Ho6]'
_cell_volume [327.4779]
_cell_formula_units_Z [2]
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  0.2013  0.5000  0.1019  1.0
  Ho  Ho1  4  0.1016  0.0000  0.3014  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
]