data_Ti2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.2
_cell_angle_alpha   105.72
_cell_angle_beta   105.72
_cell_angle_gamma   36.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SnHg
_chemical_formula_sum   'Ti2 Sn1 Hg1'
_cell_volume   79.34
_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  0.98  0.0  0.3  1.0
  Ti  Ti3  1  0.39  0.0  0.68  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.19  0.0  0.49  1.0

data_Ti2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.19
_cell_length_c   5.2
_cell_angle_alpha   105.72
_cell_angle_beta   90.0
_cell_angle_gamma   108.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SnHg
_chemical_formula_sum   'Ti2 Sn1 Hg1'
_cell_volume   79.34
_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  0.0  0.02  0.7  1.0
  Ti  Ti1  1  0.0  0.61  0.32  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.81  0.51  1.0

Ti Ti Sn Hg