data_[Tb2Nd2Tm6Th2]
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
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9130]
_cell_length_b [5.0332]
_cell_length_c [10.0505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbNdTm3Th]
_chemical_formula_sum '[Tb2 Nd2 Tm6 Th2]'
_cell_volume [380.0849]
_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  2  0.4976  0.7500  0.8720  1
  Nd  Nd1  2  0.1702  0.2500  0.2924  1
  Tm  Tm2  2  0.1675  0.7500  0.0426  1
  Tm  Tm3  2  0.1698  0.2500  0.7920  1
  Tm  Tm4  2  0.1732  0.7500  0.5434  1
  Th  Th5  2  0.4991  0.7500  0.3762  1
]