data_TiHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.16
_cell_angle_alpha   99.56
_cell_angle_beta   99.56
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2W
_chemical_formula_sum   'Ti1 Hg2 W1'
_cell_volume   74.88
_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  0.0  1.0
  Hg  Hg0  1  0.81  0.0  0.8  1.0
  Hg  Hg1  1  0.22  0.0  0.28  1.0
  W  W3  1  0.52  0.0  0.54  1.0

data_TiHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.16
_cell_length_c   5.18
_cell_angle_alpha   99.56
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2W
_chemical_formula_sum   'Ti1 Hg2 W1'
_cell_volume   74.88
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.28  0.22  1.0
  Hg  Hg2  1  0.0  0.8  0.81  1.0
  W  W3  1  0.0  0.54  0.52  1.0

Ti Hg Hg W