data_Bi2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   21.36
_cell_angle_beta   21.36
_cell_angle_gamma   21.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2RuCl
_chemical_formula_sum   'Bi2 Ru1 Cl1'
_cell_volume   97.38
_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
  Bi  Bi0  1  0.0  0.0  0.08  1.0
  Bi  Bi1  1  0.0  0.0  0.8  1.0
  Ru  Ru3  1  0.0  0.0  0.82  1.0
  Cl  Cl2  1  0.0  0.0  0.36  1.0

data_Bi2RuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   3.49
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2RuCl
_chemical_formula_sum   'Bi4 Ru2 Cl2'
_cell_volume   194.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Bi  Bi0  2  0.0  0.0  0.2  1.0
  Bi  Bi1  2  0.0  0.0  0.92  1.0
  Ru  Ru2  2  0.0  0.0  0.18  1.0
  Cl  Cl3  2  0.0  0.0  0.64  1.0

Bi Bi Ru Cl