data_La2FeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.79
_cell_angle_alpha   103.99
_cell_angle_beta   103.99
_cell_angle_gamma   57.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeHg
_chemical_formula_sum   'La2 Fe1 Hg1'
_cell_volume   94.95
_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  0.2  0.0  0.36  1.0
  La  La3  1  0.23  0.0  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.71  0.0  0.27  1.0

data_La2FeHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.16
_cell_length_c   6.79
_cell_angle_alpha   103.99
_cell_angle_beta   90.0
_cell_angle_gamma   118.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeHg
_chemical_formula_sum   'La2 Fe1 Hg1'
_cell_volume   94.95
_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  0.77  0.83  1.0
  La  La1  1  0.0  0.8  0.64  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.29  0.73  1.0

La La Fe Hg