data_TiHgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHgPt
_chemical_formula_sum   'Ti1 Hg1 Pt1'
_cell_volume   53.04
_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
  Ti  Ti2  1  0.0  0.0  0.83  1.0
  Hg  Hg0  1  0.33  0.34  0.28  1.0
  Pt  Pt1  1  0.0  0.69  0.71  1.0

data_TiHgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHgPt
_chemical_formula_sum   'Ti1 Hg1 Pt1'
_cell_volume   53.04
_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
  Ti  Ti0  1  0.83  0.0  0.0  1.0
  Hg  Hg1  1  0.28  0.33  0.34  1.0
  Pt  Pt2  1  0.71  0.0  0.69  1.0

Ti Hg Pt
Ti Hg Pt 0 2 o - o 0 1 o o + 0 1 o o o 