data_Re2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   147.34
_cell_angle_beta   129.51
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PRu
_chemical_formula_sum   'Re2 P1 Ru1'
_cell_volume   54.95
_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  0.18  0.1  1.0
  Re  Re2  1  0.0  0.0  0.19  1.0
  P  P0  1  0.0  0.0  0.57  1.0
  Ru  Ru3  1  0.0  0.18  0.31  1.0

data_Re2PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.36
_cell_length_c   5.11
_cell_angle_alpha   115.25
_cell_angle_beta   106.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PRu
_chemical_formula_sum   'Re2 P1 Ru1'
_cell_volume   54.95
_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  0.81  0.81  0.81  1.0
  Re  Re1  1  0.9  0.07  0.07  1.0
  P  P2  1  0.43  0.43  0.43  1.0
  Ru  Ru3  1  0.69  0.87  0.87  1.0

Re Re P Ru