data_ReAsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06
_cell_length_b   7.76
_cell_length_c   3.11
_cell_angle_alpha   84.23
_cell_angle_beta   73.21
_cell_angle_gamma   22.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAsBr
_chemical_formula_sum   'Re1 As1 Br1'
_cell_volume   63.64
_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  Re2  1  0.56  0.69  0.15  1.0
  As  As0  1  0.56  0.69  0.66  1.0
  Br  Br1  1  0.56  0.69  0.59  1.0

data_ReAsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.11
_cell_length_b   15.2
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   120.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReAsBr
_chemical_formula_sum   'Re2 As2 Br2'
_cell_volume   127.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.11  0.5  0.3  1.0
  As  As1  2  0.09  0.0  0.78  1.0
  Br  Br2  2  0.16  0.0  0.85  1.0

Re As Br