data_MoPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.48
_cell_angle_alpha   92.21
_cell_angle_beta   92.21
_cell_angle_gamma   34.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPRu2
_chemical_formula_sum   'Mo1 P1 Ru2'
_cell_volume   56.7
_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
  Mo  Mo0  1  0.42  0.0  0.24  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.86  0.0  0.13  1.0
  Ru  Ru3  1  0.97  0.0  0.35  1.0

data_MoPRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.48
_cell_length_c   4.72
_cell_angle_alpha   92.21
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPRu2
_chemical_formula_sum   'Mo1 P1 Ru2'
_cell_volume   56.7
_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
  Mo  Mo0  1  0.0  0.24  0.42  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.13  0.86  1.0
  Ru  Ru3  1  0.0  0.35  0.97  1.0

Mo P Ru Ru
Mo P Ru Ru 0 1 o o o 0 2 - o o 0 2 o o o 0 3 - o o 0 3 o o o 1 2 - o o 2 3 o o o 