data_La2FeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   149.37
_cell_angle_beta   136.05
_cell_angle_gamma   54.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeHg
_chemical_formula_sum   'La2 Fe1 Hg1'
_cell_volume   100.03
_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  0.0  0.0  0.64  1.0
  La  La3  1  0.74  0.0  0.59  1.0
  Fe  Fe0  1  0.0  0.0  0.91  1.0
  Hg  Hg1  1  0.0  0.46  0.24  1.0

data_La2FeHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.92
_cell_length_c   6.58
_cell_angle_alpha   111.98
_cell_angle_beta   105.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeHg
_chemical_formula_sum   'La2 Fe1 Hg1'
_cell_volume   100.03
_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  0.59  0.86  1.0
  La  La1  1  0.0  0.64  0.64  1.0
  Fe  Fe2  1  0.0  0.91  0.91  1.0
  Hg  Hg3  1  0.54  0.78  0.78  1.0

La La Fe Hg
La La Fe Hg 0 1 - o o 0 3 o - o 0 3 o o + 0 2 o o o 1 2 + o o 1 3 + o + 2 3 o o + 