data_[Tm1Te4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8003]
_cell_length_b [7.9524]
_cell_length_c [8.0644]
_cell_angle_alpha [78.3289]
_cell_angle_beta [66.4519]
_cell_angle_gamma [74.2449]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm(Te2Br3)2]
_chemical_formula_sum '[Tm1 Te4 Br6]'
_cell_volume [438.8579]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3408  0.7372  0.5140  1.0
  Te  Te2  2  0.3933  0.4562  0.3346  1.0
  Br  Br3  2  0.0214  0.2689  0.1628  1.0
  Br  Br4  2  0.0441  0.7624  0.2899  1.0
  Br  Br5  2  0.3924  0.9472  0.8069  1.0
]