data_Ti2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.24
_cell_angle_alpha   101.0
_cell_angle_beta   101.0
_cell_angle_gamma   34.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InHg
_chemical_formula_sum   'Ti2 In1 Hg1'
_cell_volume   78.64
_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  0.68  0.0  0.87  1.0
  Ti  Ti3  1  0.17  0.0  0.27  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.42  0.0  0.57  1.0

data_Ti2InHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.18
_cell_length_c   5.24
_cell_angle_alpha   101.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InHg
_chemical_formula_sum   'Ti2 In1 Hg1'
_cell_volume   78.64
_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  0.32  0.13  1.0
  Ti  Ti1  1  0.0  0.83  0.73  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.58  0.43  1.0

Ti Ti In Hg