data_Cr2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.37
_cell_angle_alpha   105.28
_cell_angle_beta   105.28
_cell_angle_gamma   37.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PRu
_chemical_formula_sum   'Cr2 P1 Ru1'
_cell_volume   49.06
_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  0.99  0.0  0.31  1.0
  Cr  Cr1  1  0.98  0.0  0.86  1.0
  P  P2  1  0.45  0.0  0.25  1.0
  Ru  Ru3  1  0.12  0.0  0.89  1.0

data_Cr2PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.36
_cell_length_c   4.37
_cell_angle_alpha   105.28
_cell_angle_beta   90.0
_cell_angle_gamma   108.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PRu
_chemical_formula_sum   'Cr2 P1 Ru1'
_cell_volume   49.06
_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  0.01  0.69  1.0
  Cr  Cr1  1  0.0  0.02  0.14  1.0
  P  P2  1  0.0  0.55  0.75  1.0
  Ru  Ru3  1  0.0  0.88  0.11  1.0

Cr Cr P Ru