data_UHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UHg
_chemical_formula_sum   'U2 Hg2'
_cell_volume   125.1
_cell_formula_units_Z   2
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
  U  U2  1  0.46  0.42  0.49  1.0
  U  U3  1  0.0  0.84  0.48  1.0
  Hg  Hg0  1  0.46  0.42  0.48  1.0
  Hg  Hg1  1  0.0  0.84  0.49  1.0

data_UHg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UHg
_chemical_formula_sum   'U2 Hg2'
_cell_volume   125.1
_cell_formula_units_Z   2
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
  U  U0  2  0.23  0.29  0.01  1.0
  Hg  Hg1  2  0.23  0.29  0.99  1.0

U U Hg Hg