data_HfP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.46
_cell_angle_alpha   102.98
_cell_angle_beta   102.98
_cell_angle_gamma   39.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP2Ru
_chemical_formula_sum   'Hf1 P2 Ru1'
_cell_volume   60.77
_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
  Hf  Hf0  1  0.41  0.0  0.51  1.0
  P  P1  1  0.76  0.0  0.21  1.0
  P  P2  1  0.36  0.0  0.33  1.0
  Ru  Ru3  1  0.83  0.0  0.78  1.0

data_HfP2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.46
_cell_length_c   4.68
_cell_angle_alpha   102.98
_cell_angle_beta   109.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfP2Ru
_chemical_formula_sum   'Hf1 P2 Ru1'
_cell_volume   60.77
_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
  Hf  Hf0  1  0.0  0.51  0.41  1.0
  P  P1  1  0.0  0.21  0.76  1.0
  P  P2  1  0.0  0.33  0.36  1.0
  Ru  Ru3  1  0.0  0.78  0.83  1.0

Hf P P Ru