data_Mg2TiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.4
_cell_angle_alpha   100.5
_cell_angle_beta   100.5
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiHg
_chemical_formula_sum   'Mg2 Ti1 Hg1'
_cell_volume   82.74
_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
  Mg  Mg1  1  0.04  0.0  0.28  1.0
  Mg  Mg2  1  0.74  0.0  0.96  1.0
  Ti  Ti3  1  0.48  0.0  0.6  1.0
  Hg  Hg0  1  0.28  0.0  0.42  1.0

data_Mg2TiHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.27
_cell_length_c   5.4
_cell_angle_alpha   100.5
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiHg
_chemical_formula_sum   'Mg2 Ti1 Hg1'
_cell_volume   82.74
_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
  Mg  Mg0  1  0.0  0.26  0.04  1.0
  Mg  Mg1  1  0.0  0.96  0.72  1.0
  Ti  Ti2  1  0.0  0.52  0.4  1.0
  Hg  Hg3  1  0.0  0.72  0.58  1.0

Mg Mg Ti Hg