data_HgBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   134.82
_cell_angle_beta   134.82
_cell_angle_gamma   65.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiPt2
_chemical_formula_sum   'Hg1 Bi1 Pt2'
_cell_volume   79.56
_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  Hg1  1  0.0  0.0  0.56  1.0
  Bi  Bi0  1  0.09  0.0  0.28  1.0
  Pt  Pt2  1  0.0  0.09  0.28  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_HgBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.43
_cell_angle_alpha   112.59
_cell_angle_beta   112.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgBiPt2
_chemical_formula_sum   'Hg1 Bi1 Pt2'
_cell_volume   79.56
_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  0.56  0.56  0.56  1.0
  Bi  Bi1  1  0.28  0.19  0.19  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.19  0.28  0.19  1.0

Hg Bi Pt Pt
Hg Bi Pt Pt 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 