data_Sb2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   152.43
_cell_angle_beta   138.16
_cell_angle_gamma   50.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2RuBr
_chemical_formula_sum   'Sb2 Ru1 Br1'
_cell_volume   93.12
_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
  Sb  Sb2  1  0.0  0.4  0.22  1.0
  Sb  Sb3  1  0.6  0.0  0.84  1.0
  Ru  Ru1  1  0.0  0.0  0.07  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Sb2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.8
_cell_length_c   6.72
_cell_angle_alpha   110.92
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2RuBr
_chemical_formula_sum   'Sb2 Ru1 Br1'
_cell_volume   93.12
_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
  Sb  Sb0  1  0.0  0.84  0.24  1.0
  Sb  Sb1  1  0.6  0.83  0.83  1.0
  Ru  Ru2  1  0.0  0.07  0.07  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sb Sb Ru Br