data_Re2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.32
_cell_angle_alpha   105.1
_cell_angle_beta   105.1
_cell_angle_gamma   119.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeBr
_chemical_formula_sum   'Re2 Te1 Br1'
_cell_volume   74.43
_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
  Re  Re1  1  0.53  0.37  0.42  1.0
  Re  Re2  1  0.53  0.63  0.42  1.0
  Te  Te3  1  0.77  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Re2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.76
_cell_length_c   5.48
_cell_angle_alpha   113.91
_cell_angle_beta   105.1
_cell_angle_gamma   95.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeBr
_chemical_formula_sum   'Re2 Te1 Br1'
_cell_volume   74.43
_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
  Re  Re0  1  0.06  0.63  0.16  1.0
  Re  Re1  1  0.79  0.37  0.89  1.0
  Te  Te2  1  -0.0  0.0  0.77  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Re Re Te Br
Re Re Te Br 0 1 o o o 2 3 + o o 