data_RePRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   142.25
_cell_angle_beta   127.23
_cell_angle_gamma   66.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePRu
_chemical_formula_sum   'Re1 P1 Ru1'
_cell_volume   41.88
_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
  Re  Re1  1  0.0  0.0  0.01  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.4  1.0

data_RePRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.94
_cell_length_c   4.43
_cell_angle_alpha   116.38
_cell_angle_beta   108.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePRu
_chemical_formula_sum   'Re1 P1 Ru1'
_cell_volume   41.88
_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
  Re  Re0  1  0.99  0.99  0.99  1.0
  P  P1  1  1.0  1.0  1.0  1.0
  Ru  Ru2  1  0.6  0.6  0.6  1.0

Re P Ru