data_HfMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   39.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoP2
_chemical_formula_sum   'Hf1 Mo1 P2'
_cell_volume   62.59
_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  0.19  0.0  0.54  1.0
  Mo  Mo1  1  0.0  0.0  0.27  1.0
  P  P2  1  0.19  0.0  0.02  1.0
  P  P3  1  0.0  0.0  0.68  1.0

data_HfMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.37
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   109.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoP2
_chemical_formula_sum   'Hf1 Mo1 P2'
_cell_volume   62.59
_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  0.46  0.19  0.46  1.0
  Mo  Mo1  1  0.73  0.0  0.73  1.0
  P  P2  1  0.32  0.0  0.32  1.0
  P  P3  1  0.98  0.19  0.98  1.0

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