data_[Nd6Ho8Er2]
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 [Pmn2_1]
_cell_length_a [11.5923]
_cell_length_b [6.2143]
_cell_length_c [7.1697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd3Ho4Er]
_chemical_formula_sum '[Nd6 Ho8 Er2]'
_cell_volume [516.4902]
_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  0.2485  0.4963  0.8104  1.0
  Nd  Nd1  2  0.0000  0.1661  0.3105  1.0
  Ho  Ho2  4  0.2498  0.9997  0.0608  1.0
  Ho  Ho3  2  0.0000  0.1649  0.8109  1.0
  Ho  Ho4  2  0.0000  0.6677  0.5617  1.0
  Er  Er5  2  0.0000  0.6678  0.0592  1.0
]