data_SbPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.48
_cell_angle_alpha   102.36
_cell_angle_beta   102.36
_cell_angle_gamma   42.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPRu2
_chemical_formula_sum   'Sb1 P1 Ru2'
_cell_volume   63.13
_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  Sb3  1  0.27  0.0  0.67  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.51  0.0  0.12  1.0
  Ru  Ru2  1  0.03  0.0  0.21  1.0

data_SbPRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.19
_cell_length_c   5.48
_cell_angle_alpha   102.36
_cell_angle_beta   90.0
_cell_angle_gamma   111.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPRu2
_chemical_formula_sum   'Sb1 P1 Ru2'
_cell_volume   63.13
_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  0.73  0.33  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.49  0.88  1.0
  Ru  Ru3  1  0.0  0.97  0.79  1.0

Sb P Ru Ru