data_TiHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   133.8
_cell_angle_beta   133.8
_cell_angle_gamma   67.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2P
_chemical_formula_sum   'Ti1 Hg2 P1'
_cell_volume   75.97
_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  Ti3  1  0.08  0.0  0.2  1.0
  Hg  Hg0  1  0.0  0.0  0.4  1.0
  Hg  Hg1  1  0.0  0.08  0.2  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TiHg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.29
_cell_angle_alpha   113.1
_cell_angle_beta   113.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHg2P
_chemical_formula_sum   'Ti1 Hg2 P1'
_cell_volume   75.97
_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  0.2  0.12  0.12  1.0
  Hg  Hg1  1  0.12  0.2  0.12  1.0
  Hg  Hg2  1  0.4  0.4  0.4  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ti Hg Hg P