data_Hg5Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   6.64
_cell_angle_alpha   95.96
_cell_angle_beta   95.96
_cell_angle_gamma   142.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg5Pt4
_chemical_formula_sum   'Hg5 Pt4'
_cell_volume   168.78
_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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.92  0.92  0.0  1.0
  Hg  Hg2  1  0.48  0.52  0.14  1.0
  Hg  Hg3  1  0.52  0.48  0.14  1.0
  Hg  Hg4  1  0.52  0.52  0.14  1.0
  Pt  Pt5  1  0.0  0.03  0.0  1.0
  Pt  Pt6  1  0.0  0.85  0.0  1.0
  Pt  Pt7  1  0.03  0.0  0.0  1.0
  Pt  Pt8  1  0.85  0.0  0.0  1.0

data_Hg5Pt4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   12.56
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg5Pt4
_chemical_formula_sum   'Hg10 Pt8'
_cell_volume   337.57
_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
  Hg  Hg0  4  0.0  0.48  0.86  1.0
  Hg  Hg1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.08  0.0  0.0  1.0
  Hg  Hg3  2  0.48  0.0  0.86  1.0
  Pt  Pt4  4  0.07  0.07  0.0  1.0
  Pt  Pt5  4  0.48  0.48  0.0  1.0

Hg Hg Hg Hg Hg Pt Pt Pt Pt
Hg Hg Hg Hg Hg Pt Pt Pt Pt 0 5 o o o 0 7 o o o 0 1 - - o 0 6 o - o 0 8 - o o 1 6 + o o 1 8 o + o 2 4 o o o 3 4 o o o 5 8 - o o 6 7 o + o 