data_[Tm4Th2Te4]
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 [C2/m]
_cell_length_a [13.6906]
_cell_length_b [3.8692]
_cell_length_c [5.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2ThTe2]
_chemical_formula_sum '[Tm4 Th2 Te4]'
_cell_volume [315.8654]
_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  4  0.1948  0.0000  0.7106  1
  Th  Th1  2  0.0000  0.5000  0.5000  1
  Te  Te2  4  0.1327  0.0000  0.1984  1
]