data_La2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   16.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Hg
_chemical_formula_sum   'La16 Hg8'
_cell_volume   756.19
_cell_formula_units_Z   8
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  La8  1  0.0  0.15  0.76  1.0
  La  La9  1  0.59  0.07  0.16  1.0
  La  La10  1  0.59  0.07  0.3  1.0
  La  La11  1  0.0  0.15  0.62  1.0
  La  La12  1  0.8  0.11  0.46  1.0
  La  La13  1  0.59  0.0  0.46  1.0
  La  La14  1  0.2  0.11  0.46  1.0
  La  La15  1  0.8  0.11  0.0  1.0
  La  La16  1  0.59  0.0  0.0  1.0
  La  La17  1  0.2  0.11  0.0  1.0
  La  La18  1  0.03  0.28  0.69  1.0
  La  La19  1  0.0  0.87  0.69  1.0
  La  La20  1  0.97  0.28  0.69  1.0
  La  La21  1  0.56  0.94  0.23  1.0
  La  La22  1  0.59  0.35  0.23  1.0
  La  La23  1  0.62  0.94  0.23  1.0
  Hg  Hg0  1  0.0  0.0  0.92  1.0
  Hg  Hg1  1  0.0  0.0  0.01  1.0
  Hg  Hg2  1  0.0  0.0  0.45  1.0
  Hg  Hg3  1  0.0  0.0  0.47  1.0
  Hg  Hg4  1  0.0  0.15  0.73  1.0
  Hg  Hg5  1  0.59  0.07  0.2  1.0
  Hg  Hg6  1  0.59  0.07  0.19  1.0
  Hg  Hg7  1  0.0  0.15  0.74  1.0

data_La2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   16.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Hg
_chemical_formula_sum   'La16 Hg8'
_cell_volume   756.19
_cell_formula_units_Z   8
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  0.15  0.62  1.0
  La  La1  1  0.0  0.15  0.76  1.0
  La  La2  1  0.0  0.87  0.69  1.0
  La  La3  1  0.03  0.28  0.69  1.0
  La  La4  1  0.2  0.11  0.0  1.0
  La  La5  1  0.2  0.11  0.46  1.0
  La  La6  1  0.56  0.94  0.23  1.0
  La  La7  1  0.59  0.0  0.0  1.0
  La  La8  1  0.59  0.0  0.46  1.0
  La  La9  1  0.59  0.07  0.16  1.0
  La  La10  1  0.59  0.07  0.3  1.0
  La  La11  1  0.59  0.35  0.23  1.0
  La  La12  1  0.62  0.94  0.23  1.0
  La  La13  1  0.8  0.11  0.0  1.0
  La  La14  1  0.8  0.11  0.46  1.0
  La  La15  1  0.97  0.28  0.69  1.0
  Hg  Hg16  1  0.0  0.0  0.01  1.0
  Hg  Hg17  1  0.0  0.0  0.45  1.0
  Hg  Hg18  1  0.0  0.0  0.47  1.0
  Hg  Hg19  1  0.0  0.0  0.92  1.0
  Hg  Hg20  1  0.0  0.15  0.73  1.0
  Hg  Hg21  1  0.0  0.15  0.74  1.0
  Hg  Hg22  1  0.59  0.07  0.19  1.0
  Hg  Hg23  1  0.59  0.07  0.2  1.0

La La La La La La La La La La La La La La La La Hg Hg Hg Hg Hg Hg Hg Hg