data_Li2HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   132.6
_cell_angle_beta   132.6
_cell_angle_gamma   69.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgPt
_chemical_formula_sum   'Li2 Hg1 Pt1'
_cell_volume   64.19
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.99  0.0  0.03  1.0
  Hg  Hg0  1  0.0  0.99  0.03  1.0
  Pt  Pt3  1  0.0  0.0  0.07  1.0

data_Li2HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   4.94
_cell_angle_alpha   113.7
_cell_angle_beta   113.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgPt
_chemical_formula_sum   'Li2 Hg1 Pt1'
_cell_volume   64.19
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.97  0.0  0.95  1.0
  Hg  Hg2  1  0.95  0.99  0.95  1.0
  Pt  Pt3  1  0.93  0.0  0.93  1.0

Li Li Hg Pt
Li Li Hg Pt 0 1 - o o 0 2 o - o 1 2 + - o 1 3 + o o 2 3 o + o 