data_HfB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   140.68
_cell_angle_beta   131.93
_cell_angle_gamma   63.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfB2P
_chemical_formula_sum   'Hf1 B2 P1'
_cell_volume   47.11
_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  Hf2  1  0.57  0.0  0.64  1.0
  B  B0  1  0.57  0.0  0.85  1.0
  B  B1  1  0.0  0.0  0.65  1.0
  P  P3  1  0.0  0.0  0.73  1.0

data_HfB2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.8
_cell_length_c   4.66
_cell_angle_alpha   114.04
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfB2P
_chemical_formula_sum   'Hf1 B2 P1'
_cell_volume   47.11
_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  0.64  0.07  1.0
  B  B1  1  0.0  0.65  0.65  1.0
  B  B2  1  0.0  0.85  0.28  1.0
  P  P3  1  0.0  0.73  0.73  1.0

Hf B B P
Hf B B P 0 1 o o o 2 3 o o o 