data_La2MgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   4.69
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgHg
_chemical_formula_sum   'La2 Mg1 Hg1'
_cell_volume   118.55
_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  0.8  1.0
  La  La2  1  0.84  0.34  0.77  1.0
  Mg  Mg3  1  0.0  0.0  0.48  1.0
  Hg  Hg0  1  0.84  0.34  0.13  1.0

data_La2MgHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.69
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgHg
_chemical_formula_sum   'La2 Mg1 Hg1'
_cell_volume   118.55
_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  0.8  1.0
  La  La1  1  0.84  0.34  0.77  1.0
  Mg  Mg2  1  0.0  0.0  0.48  1.0
  Hg  Hg3  1  0.84  0.34  0.13  1.0

La La Mg Hg