data_HfMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.54
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   92.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2P
_chemical_formula_sum   'Hf1 Mo2 P1'
_cell_volume   67.58
_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  0.47  0.0  0.34  1.0
  Mo  Mo1  1  0.32  0.27  0.53  1.0
  Mo  Mo2  1  0.63  0.27  0.16  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_HfMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.54
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   92.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMo2P
_chemical_formula_sum   'Hf1 Mo2 P1'
_cell_volume   67.58
_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  0.47  0.0  0.34  1.0
  Mo  Mo1  1  0.32  0.27  0.53  1.0
  Mo  Mo2  1  0.63  0.27  0.16  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Hf Mo Mo P
Hf Mo Mo P 0 1 o o o 0 2 o o o 0 3 + o o 0 3 o o o 2 3 + o o 