data_ReSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   11.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Br
_chemical_formula_sum   'Re1 Si2 Br1'
_cell_volume   82.67
_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  0.0  0.0  0.65  1.0
  Si  Si2  1  0.64  0.0  0.57  1.0
  Si  Si3  1  0.64  0.0  0.73  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   2.77
_cell_length_b   2.77
_cell_length_c   11.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Br
_chemical_formula_sum   'Re1 Si2 Br1'
_cell_volume   82.67
_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  0.0  0.65  1.0
  Si  Si1  1  0.64  0.0  0.57  1.0
  Si  Si2  1  0.64  0.0  0.73  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Re Si Si Br