data_[Nd4Th2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.6939]
_cell_length_b [13.9271]
_cell_length_c [4.4858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Nd2ThTe5]
_chemical_formula_sum '[Nd4 Th2 Te10]'
_cell_volume [543.1363]
_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  0.0268  0.3248  0.5000  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1716  0.1086  0.5000  1
  Te  Te3  4  0.1829  0.8026  0.0000  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
]