data_BiPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.52
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPRu2
_chemical_formula_sum   'Bi1 P1 Ru2'
_cell_volume   71.85
_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  0.8  0.0  0.32  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.31  0.76  0.17  1.0
  Ru  Ru3  1  0.29  0.76  0.47  1.0

data_BiPRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.52
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPRu2
_chemical_formula_sum   'Bi1 P1 Ru2'
_cell_volume   71.85
_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  0.8  0.0  0.32  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.29  0.76  0.47  1.0
  Ru  Ru3  1  0.31  0.76  0.17  1.0

Bi P Ru Ru
Bi P Ru Ru 0 2 o - o 0 2 + - o 0 3 o - o 0 3 + - o 1 2 o - o 2 3 o o o 