data_ReTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   7.96
_cell_angle_alpha   97.59
_cell_angle_beta   97.59
_cell_angle_gamma   53.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2Br
_chemical_formula_sum   'Re1 Te2 Br1'
_cell_volume   99.09
_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  0.96  0.0  0.93  1.0
  Te  Te2  1  0.72  0.0  0.5  1.0
  Te  Te3  1  0.2  0.0  0.37  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_ReTe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.97
_cell_length_c   7.96
_cell_angle_alpha   97.59
_cell_angle_beta   90.0
_cell_angle_gamma   116.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTe2Br
_chemical_formula_sum   'Re1 Te2 Br1'
_cell_volume   99.09
_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  0.0  0.04  0.07  1.0
  Te  Te1  1  0.0  0.28  0.5  1.0
  Te  Te2  1  0.0  0.8  0.63  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Re Te Te Br