data_La2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   123.51
_cell_angle_beta   119.93
_cell_angle_gamma   87.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HgAu
_chemical_formula_sum   'La2 Hg1 Au1'
_cell_volume   112.48
_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  0.59  0.0  0.95  1.0
  La  La3  1  0.0  0.74  0.01  1.0
  Hg  Hg1  1  0.0  0.0  0.97  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_La2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.18
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   60.07
_cell_angle_beta   61.76
_cell_angle_gamma   61.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2HgAu
_chemical_formula_sum   'La2 Hg1 Au1'
_cell_volume   112.48
_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  0.01  -0.0  0.73  1.0
  La  La1  1  0.36  0.59  0.05  1.0
  Hg  Hg2  1  0.97  0.0  0.03  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

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