data_La2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SnHg
_chemical_formula_sum   'La2 Sn1 Hg1'
_cell_volume   139.1
_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  La1  1  0.0  0.0  0.03  1.0
  La  La2  1  0.3  0.3  0.26  1.0
  Sn  Sn3  1  0.0  0.0  0.74  1.0
  Hg  Hg0  1  0.3  0.3  0.48  1.0

data_La2SnHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2SnHg
_chemical_formula_sum   'La4 Sn2 Hg2'
_cell_volume   278.2
_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
  La  La0  2  0.0  0.0  0.03  1.0
  La  La1  2  0.3  0.0  0.26  1.0
  Sn  Sn2  2  0.0  0.0  0.74  1.0
  Hg  Hg3  2  0.3  0.0  0.48  1.0

La La Sn Hg
La La Sn Hg 0 2 o o - 1 3 o o o 