data_ReSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   8.21
_cell_angle_alpha   114.33
_cell_angle_beta   114.33
_cell_angle_gamma   39.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Br
_chemical_formula_sum   'Re1 Si2 Br1'
_cell_volume   86.52
_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  0.22  0.0  0.69  1.0
  Si  Si2  1  0.91  0.0  0.67  1.0
  Si  Si3  1  0.53  0.0  0.71  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_ReSi2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.28
_cell_length_c   7.54
_cell_angle_alpha   83.2
_cell_angle_beta   78.84
_cell_angle_gamma   70.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Br
_chemical_formula_sum   'Re1 Si2 Br1'
_cell_volume   86.52
_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
  Si  Si0  1  0.0  0.24  0.67  1.0
  Re  Re1  1  0.0  0.53  0.69  1.0
  Si  Si2  1  0.0  0.82  0.71  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Re Si Si Br