data_[Tm10Th2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmmn]
_cell_length_a [9.1789]
_cell_length_b [9.6543]
_cell_length_c [7.4816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tm5ThTe4]
_chemical_formula_sum '[Tm10 Th2 Te8]'
_cell_volume [662.9872]
_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
[
  Tm  Tm0  8  0.1853  0.1859  0.2127  1
  Tm  Tm1  2  0.0000  0.5000  0.2126  1
  Th  Th2  2  0.0000  0.0000  0.8361  1
  Te  Te3  4  0.0000  0.3103  0.8965  1
  Te  Te4  4  0.2497  0.5000  0.4656  1
]