data_LaHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   8.05
_cell_angle_alpha   154.34
_cell_angle_beta   145.62
_cell_angle_gamma   43.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgCl2
_chemical_formula_sum   'La1 Hg1 Cl2'
_cell_volume   127.05
_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  La3  1  0.0  0.0  0.49  1.0
  Hg  Hg2  1  0.0  0.38  0.05  1.0
  Cl  Cl0  1  0.0  0.38  0.25  1.0
  Cl  Cl1  1  0.0  0.0  0.64  1.0

data_LaHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.76
_cell_length_c   8.05
_cell_angle_alpha   107.19
_cell_angle_beta   102.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgCl2
_chemical_formula_sum   'La1 Hg1 Cl2'
_cell_volume   127.05
_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  0.51  0.51  0.51  1.0
  Hg  Hg1  1  0.95  0.33  0.33  1.0
  Cl  Cl2  1  0.36  0.36  0.36  1.0
  Cl  Cl3  1  0.75  0.12  0.12  1.0

La Hg Cl Cl