data_[Tm32Te48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.6100]
_cell_length_b [12.1610]
_cell_length_c [25.7871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Tm2Te3]
_chemical_formula_sum '[Tm32 Te48]'
_cell_volume [2700.0657]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.2498  1
  Tm  Tm1  16  0.0000  0.0000  0.4174  1
  Te  Te2  32  0.0002  0.2492  0.9167  1
  Te  Te3  16  0.0038  0.2500  0.2500  1
]