data_LaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   139.22
_cell_angle_beta   130.75
_cell_angle_gamma   65.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg2
_chemical_formula_sum   'La1 Hg2'
_cell_volume   83.13
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.13  1.0
  Hg  Hg1  1  0.0  0.0  0.18  1.0

data_LaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.62
_cell_length_c   5.55
_cell_angle_alpha   114.63
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHg2
_chemical_formula_sum   'La1 Hg2'
_cell_volume   83.13
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.13  0.13  1.0
  Hg  Hg2  1  0.0  0.18  0.18  1.0

La Hg Hg