data_[Nd8Sm2Ho12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.7477]
_cell_length_b [7.7477]
_cell_length_c [13.0458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd4SmHo6]
_chemical_formula_sum '[Nd8 Sm2 Ho12]'
_cell_volume [783.1024]
_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  8  0.1745  0.1745  0.9242  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Ho  Ho2  8  0.2474  0.2474  0.6841  1
  Ho  Ho3  4  0.0000  0.5000  0.0000  1
]