data_CrPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   142.14
_cell_angle_beta   127.41
_cell_angle_gamma   66.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPRu
_chemical_formula_sum   'Cr1 P1 Ru1'
_cell_volume   37.98
_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
  Cr  Cr0  1  0.0  0.0  0.14  1.0
  P  P1  1  0.0  0.0  0.79  1.0
  Ru  Ru2  1  0.0  0.0  0.42  1.0

data_CrPRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.8
_cell_length_c   4.29
_cell_angle_alpha   116.29
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPRu
_chemical_formula_sum   'Cr1 P1 Ru1'
_cell_volume   37.98
_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
  Cr  Cr0  1  0.86  0.86  0.86  1.0
  P  P1  1  0.21  0.21  0.21  1.0
  Ru  Ru2  1  0.58  0.58  0.58  1.0

Cr P Ru