data_Hf2VP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.88
_cell_angle_alpha   104.33
_cell_angle_beta   104.33
_cell_angle_gamma   42.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VP
_chemical_formula_sum   'Hf2 V1 P1'
_cell_volume   70.36
_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  0.05  0.0  0.08  1.0
  Hf  Hf1  1  0.38  0.0  0.63  1.0
  V  V3  1  0.72  0.0  0.35  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Hf2VP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.69
_cell_length_c   4.88
_cell_angle_alpha   104.33
_cell_angle_beta   90.0
_cell_angle_gamma   111.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VP
_chemical_formula_sum   'Hf2 V1 P1'
_cell_volume   70.36
_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  0.62  0.37  1.0
  Hf  Hf1  1  0.0  0.95  0.92  1.0
  V  V2  1  0.0  0.28  0.65  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Hf Hf V P
Hf Hf V P 0 3 o o o 0 1 o o o 0 1 o o - 0 2 - o o 1 3 o o o 1 3 o o + 1 3 + o + 1 2 - o o 1 2 o o o 2 3 + o o 