data_HfVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVPt2
_chemical_formula_sum   'Hf1 V1 Pt2'
_cell_volume   64.0
_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  0.97  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.42  0.42  0.09  1.0
  Pt  Pt2  1  0.42  0.42  0.86  1.0

data_HfVPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfVPt2
_chemical_formula_sum   'Hf2 V2 Pt4'
_cell_volume   127.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.97  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.42  0.0  0.09  1.0
  Pt  Pt3  2  0.42  0.0  0.86  1.0

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