data_Hg2BiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   128.98
_cell_angle_beta   128.98
_cell_angle_gamma   75.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiPt
_chemical_formula_sum   'Hg2 Bi1 Pt1'
_cell_volume   90.92
_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  0.26  1.0
  Hg  Hg2  1  0.0  0.31  0.13  1.0
  Bi  Bi0  1  0.31  0.0  0.13  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

data_Hg2BiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.37
_cell_angle_alpha   115.51
_cell_angle_beta   115.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiPt
_chemical_formula_sum   'Hg2 Bi1 Pt1'
_cell_volume   90.92
_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  0.26  0.26  0.26  1.0
  Hg  Hg1  1  0.82  0.13  0.82  1.0
  Bi  Bi2  1  0.13  0.82  0.82  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

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