data_HfVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   134.55
_cell_angle_beta   130.73
_cell_angle_gamma   69.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVPt2
_chemical_formula_sum   'Hf1 V1 Pt2'
_cell_volume   63.63
_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  0.0  0.06  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.06  0.06  1.0
  Pt  Pt2  1  0.91  0.0  0.99  1.0

data_HfVPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.11
_cell_length_c   4.93
_cell_angle_alpha   114.63
_cell_angle_beta   112.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVPt2
_chemical_formula_sum   'Hf1 V1 Pt2'
_cell_volume   63.63
_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  0.94  0.94  0.94  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.91  0.01  0.91  1.0
  Pt  Pt3  1  0.94  0.99  0.99  1.0

Hf V Pt Pt
Hf V Pt Pt 0 2 o o o 0 1 o o o 0 3 - o - 1 2 o o o 2 3 - o - 