data_[Nd12Ho6Er2]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5017]
_cell_length_b [10.3263]
_cell_length_c [12.4725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Ho3Er]
_chemical_formula_sum '[Nd12 Ho6 Er2]'
_cell_volume [696.5297]
_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  0.0068  0.1856  0.5050  1
  Nd  Nd1  4  0.1040  0.0044  0.2698  1
  Nd  Nd2  4  0.4223  0.1713  0.8555  1
  Ho  Ho3  4  0.4233  0.6677  0.3650  1
  Ho  Ho4  2  0.5000  0.0000  0.5000  1
  Er  Er5  2  0.0000  0.0000  0.0000  1
]