data_Si2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   152.08
_cell_angle_beta   135.41
_cell_angle_gamma   53.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2RuBr
_chemical_formula_sum   'Si2 Ru1 Br1'
_cell_volume   70.26
_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  Si2  1  0.44  0.0  0.27  1.0
  Si  Si3  1  0.0  0.27  0.08  1.0
  Ru  Ru1  1  0.0  0.0  0.35  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Si2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.54
_cell_length_c   5.99
_cell_angle_alpha   112.3
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2RuBr
_chemical_formula_sum   'Si2 Ru1 Br1'
_cell_volume   70.26
_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  0.18  0.73  0.18  1.0
  Si  Si1  1  0.92  0.19  0.19  1.0
  Ru  Ru2  1  0.65  0.65  0.65  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Si Si Ru Br