data_TiHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.93
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiHgRh2
_chemical_formula_sum   'Ti1 Hg1 Rh2'
_cell_volume   66.53
_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  0.0  0.0  0.49  1.0
  Hg  Hg0  1  0.49  0.97  0.34  1.0
  Rh  Rh1  1  0.0  0.0  0.1  1.0
  Rh  Rh2  1  0.49  0.97  0.57  1.0

data_TiHgRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.93
_cell_length_b   2.99
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiHgRh2
_chemical_formula_sum   'Ti1 Hg1 Rh2'
_cell_volume   66.53
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.49  1.0
  Hg  Hg1  1  0.97  0.5  0.34  1.0
  Rh  Rh2  1  0.0  0.0  0.1  1.0
  Rh  Rh3  1  0.97  0.5  0.57  1.0

Ti Hg Rh Rh