data_Bi2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   128.01
_cell_angle_beta   128.01
_cell_angle_gamma   76.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbRu
_chemical_formula_sum   'Bi2 Sb1 Ru1'
_cell_volume   97.04
_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  0.27  1.0
  Bi  Bi1  1  0.0  0.38  0.13  1.0
  Sb  Sb3  1  0.38  0.0  0.13  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Bi2SbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   5.44
_cell_angle_alpha   115.99
_cell_angle_beta   115.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2SbRu
_chemical_formula_sum   'Bi2 Sb1 Ru1'
_cell_volume   97.04
_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  0.27  0.27  0.27  1.0
  Bi  Bi1  1  0.75  0.13  0.75  1.0
  Sb  Sb2  1  0.13  0.75  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Bi Bi Sb Ru
Bi Bi Sb Ru 0 3 o o o 1 3 o o o 2 3 o o o 