data_TlTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   4.52
_cell_angle_alpha   103.81
_cell_angle_beta   103.81
_cell_angle_gamma   31.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2Br
_chemical_formula_sum   'Tl1 Te2 Br1'
_cell_volume   135.46
_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
  Tl  Tl3  1  0.81  0.0  0.19  1.0
  Te  Te1  1  0.67  0.0  0.22  1.0
  Te  Te2  1  0.94  0.0  0.15  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TlTe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.52
_cell_length_c   7.66
_cell_angle_alpha   103.81
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTe2Br
_chemical_formula_sum   'Tl1 Te2 Br1'
_cell_volume   135.46
_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
  Tl  Tl0  1  0.0  0.19  0.81  1.0
  Te  Te1  1  0.0  0.15  0.94  1.0
  Te  Te2  1  0.0  0.22  0.67  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl Te Te Br