data_U3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   130.8
_cell_angle_beta   130.8
_cell_angle_gamma   72.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Hg
_chemical_formula_sum   'U3 Hg1'
_cell_volume   87.96
_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
  U  U1  1  0.0  0.25  0.18  1.0
  U  U2  1  0.25  0.0  0.18  1.0
  U  U3  1  0.0  0.0  0.36  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0

data_U3Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   126.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   U3Hg
_chemical_formula_sum   'U6 Hg2'
_cell_volume   175.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.38  0.07  1.0
  U  U1  2  0.14  0.5  0.64  1.0
  Hg  Hg2  2  0.0  0.0  0.0  1.0

U U U Hg
U U U Hg 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 