data_HfPt8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   95.72
_cell_angle_beta   95.72
_cell_angle_gamma   143.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPt8
_chemical_formula_sum   'Hf1 Pt8'
_cell_volume   143.74
_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  0.0  1.0
  Pt  Pt1  1  0.81  0.0  0.0  1.0
  Pt  Pt2  1  0.67  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.81  0.0  1.0
  Pt  Pt4  1  0.85  0.85  0.0  1.0
  Pt  Pt5  1  0.39  0.61  1.0  1.0
  Pt  Pt6  1  0.0  0.67  0.0  1.0
  Pt  Pt7  1  0.61  0.39  1.0  1.0
  Pt  Pt8  1  0.39  0.39  1.0  1.0

data_HfPt8
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   12.0
_cell_length_b   12.0
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   HfPt8
_chemical_formula_sum   'Hf4 Pt32'
_cell_volume   574.95
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
  9  'x+1/2, y, z+1/2'
  10  '-x+1/2, -y, z+1/2'
  11  '-x+1/2, y, z+1/2'
  12  'x+1/2, -y, z+1/2'
  13  'x+1/2, y+1/2, z'
  14  '-x+1/2, -y+1/2, z'
  15  '-x+1/2, y+1/2, z'
  16  '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  4  0.0  0.0  0.0  1.0
  Pt  Pt1  8  0.0  0.09  0.91  1.0
  Pt  Pt2  8  0.0  0.11  0.5  1.0
  Pt  Pt3  8  0.0  0.16  0.84  1.0
  Pt  Pt4  4  0.0  0.0  0.4  1.0
  Pt  Pt5  4  0.0  0.0  0.85  1.0

Hf Pt Pt Pt Pt Pt Pt Pt Pt