data_LaHgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgIr2
_chemical_formula_sum   'La1 Hg1 Ir2'
_cell_volume   88.51
_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  0.91  1.0
  Hg  Hg0  1  0.44  0.0  0.54  1.0
  Ir  Ir1  1  0.0  0.0  0.7  1.0
  Ir  Ir2  1  0.44  0.0  0.9  1.0

data_LaHgIr2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaHgIr2
_chemical_formula_sum   'La1 Hg1 Ir2'
_cell_volume   88.54
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.91  1.0
  Hg  Hg1  1  0.44  0.0  0.54  1.0
  Ir  Ir2  1  0.0  0.0  0.7  1.0
  Ir  Ir3  1  0.44  0.0  0.9  1.0

La Hg Ir Ir
La Hg Ir Ir 0 3 o o o 0 2 o o o 1 2 o o o 1 2 + o o 