data_LaHgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   135.2
_cell_angle_beta   135.2
_cell_angle_gamma   65.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHgBi
_chemical_formula_sum   'La1 Hg1 Bi1'
_cell_volume   93.87
_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  0.41  1.0
  Hg  Hg1  1  0.0  0.0  0.25  1.0
  Bi  Bi0  1  0.0  0.0  0.06  1.0

data_LaHgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   122.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaHgBi
_chemical_formula_sum   'La2 Hg2 Bi2'
_cell_volume   187.74
_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
  La  La0  2  0.09  0.5  0.59  1.0
  Hg  Hg1  2  0.25  0.5  0.75  1.0
  Bi  Bi2  2  0.44  0.5  0.94  1.0

La Hg Bi
La Hg Bi 0 1 o o o 1 2 o o o 