data_FePRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   141.59
_cell_angle_beta   127.72
_cell_angle_gamma   66.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePRu
_chemical_formula_sum   'Fe1 P1 Ru1'
_cell_volume   36.78
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.74  1.0
  Ru  Ru2  1  0.0  0.0  0.41  1.0

data_FePRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.73
_cell_length_c   4.23
_cell_angle_alpha   116.14
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FePRu
_chemical_formula_sum   'Fe1 P1 Ru1'
_cell_volume   36.78
_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
  Fe  Fe0  1  1.0  1.0  1.0  1.0
  P  P1  1  0.26  0.26  0.26  1.0
  Ru  Ru2  1  0.59  0.59  0.59  1.0

Fe P Ru