data_NaTiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   151.86
_cell_angle_beta   142.46
_cell_angle_gamma   47.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiHg
_chemical_formula_sum   'Na1 Ti1 Hg1'
_cell_volume   73.0
_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
  Na  Na1  1  0.0  0.0  0.63  1.0
  Ti  Ti2  1  0.0  0.0  0.28  1.0
  Hg  Hg0  1  0.0  0.0  0.3  1.0

data_NaTiHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.08
_cell_length_c   6.34
_cell_angle_alpha   108.77
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiHg
_chemical_formula_sum   'Na1 Ti1 Hg1'
_cell_volume   73.0
_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
  Na  Na0  1  0.37  0.37  0.37  1.0
  Ti  Ti1  1  0.72  0.72  0.72  1.0
  Hg  Hg2  1  0.7  0.7  0.7  1.0

Na Ti Hg