data_[Nd4Tm2Th6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9218]
_cell_length_b [4.3234]
_cell_length_c [9.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Tm(ThTe2)3]
_chemical_formula_sum '[Nd4 Tm2 Th6 Te12]'
_cell_volume [746.8060]
_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  0.1672  0.0000  0.3353  1
  Tm  Tm1  2  0.0000  0.5000  0.0000  1
  Th  Th2  4  0.1713  0.0000  0.8381  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0017  0.0000  0.7630  1
  Te  Te5  4  0.1600  0.5000  0.0821  1
  Te  Te6  4  0.1673  0.5000  0.5831  1
]