data_LaHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   3.88
_cell_angle_alpha   108.33
_cell_angle_beta   108.33
_cell_angle_gamma   107.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgCl2
_chemical_formula_sum   'La1 Hg1 Cl2'
_cell_volume   111.6
_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  0.0  1.0
  Hg  Hg2  1  0.53  0.0  0.0  1.0
  Cl  Cl0  1  0.73  0.41  0.64  1.0
  Cl  Cl1  1  0.73  0.59  0.64  1.0

data_LaHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   119.53
_cell_angle_beta   108.33
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgCl2
_chemical_formula_sum   'La1 Hg1 Cl2'
_cell_volume   111.6
_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  0.0  0.53  1.0
  Cl  Cl2  1  0.05  0.41  0.14  1.0
  Cl  Cl3  1  0.23  0.59  0.32  1.0

La Hg Cl Cl