data_SnHg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   127.85
_cell_angle_beta   127.85
_cell_angle_gamma   76.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Pt
_chemical_formula_sum   'Sn1 Hg2 Pt1'
_cell_volume   85.41
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.29  0.0  0.04  1.0
  Hg  Hg1  1  0.0  0.0  0.08  1.0
  Pt  Pt2  1  0.0  0.29  0.04  1.0

data_SnHg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.21
_cell_angle_alpha   116.08
_cell_angle_beta   116.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Pt
_chemical_formula_sum   'Sn1 Hg2 Pt1'
_cell_volume   85.41
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.92  0.0  0.92  1.0
  Hg  Hg2  1  0.96  0.0  0.25  1.0
  Pt  Pt3  1  0.25  0.29  0.25  1.0

Sn Hg Hg Pt