data_SiRuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   154.73
_cell_angle_beta   146.96
_cell_angle_gamma   42.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRuBr
_chemical_formula_sum   'Si1 Ru1 Br1'
_cell_volume   64.98
_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  0.0  0.0  0.27  1.0
  Ru  Ru1  1  0.0  0.0  0.7  1.0
  Br  Br0  1  0.0  0.0  0.24  1.0

data_SiRuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.72
_cell_length_c   6.54
_cell_angle_alpha   106.52
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRuBr
_chemical_formula_sum   'Si1 Ru1 Br1'
_cell_volume   64.98
_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  0.27  0.27  1.0
  Ru  Ru1  1  0.0  0.7  0.7  1.0
  Br  Br2  1  0.0  0.24  0.24  1.0

Si Ru Br