data_[Tb8Nd20Sm2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.4121]
_cell_length_b [12.4121]
_cell_length_c [7.8298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tb4Nd10Sm]
_chemical_formula_sum '[Tb8 Nd20 Sm2]'
_cell_volume [1206.2708]
_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
[
  Tb  Tb0  8  0.1004  0.7005  0.5000  1
  Nd  Nd1  16  0.0997  0.2012  0.2506  1
  Nd  Nd2  4  0.0000  0.5000  0.2500  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
]