data_NaLa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Hg
_chemical_formula_sum   'Na1 La2 Hg1'
_cell_volume   125.07
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.73  0.0  0.09  1.0
  La  La2  1  0.0  0.73  0.09  1.0
  Hg  Hg0  1  0.73  0.73  0.0  1.0

data_NaLa2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLa2Hg
_chemical_formula_sum   'Na2 La4 Hg2'
_cell_volume   250.14
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  La  La1  4  0.37  0.37  0.09  1.0
  Hg  Hg2  2  0.23  0.5  0.0  1.0

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