data_[Nd2Er8Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.6359]
_cell_length_b [7.6359]
_cell_length_c [12.7922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd(Er2Tm3)2]
_chemical_formula_sum '[Nd2 Er8 Tm12]'
_cell_volume [745.8709]
_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  2  0.0000  0.0000  0.5000  1
  Er  Er1  8  0.1645  0.1645  0.9243  1
  Tm  Tm2  8  0.2483  0.2483  0.1851  1
  Tm  Tm3  4  0.0000  0.5000  0.0000  1
]