data_[Tb1Nd1Th2Se4]
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
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1241]
_cell_length_b [4.1818]
_cell_length_c [7.3645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbNd(ThSe2)2]
_chemical_formula_sum '[Tb1 Nd1 Th2 Se4]'
_cell_volume [207.0259]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Th  Th2  1  0.0000  0.5000  0.5000  1
  Th  Th3  1  0.5000  0.0000  0.5000  1
  Se  Se4  2  0.2536  0.5000  0.2444  1
  Se  Se5  2  0.2583  0.0000  0.7593  1
]