data_GaHgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   145.41
_cell_angle_beta   130.71
_cell_angle_gamma   61.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgBi
_chemical_formula_sum   'Ga1 Hg1 Bi1'
_cell_volume   79.23
_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
  Ga  Ga1  1  0.0  0.0  0.53  1.0
  Hg  Hg2  1  0.0  0.0  0.24  1.0
  Bi  Bi0  1  0.0  0.0  0.04  1.0

data_GaHgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.76
_cell_length_c   5.71
_cell_angle_alpha   114.64
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgBi
_chemical_formula_sum   'Ga1 Hg1 Bi1'
_cell_volume   79.23
_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
  Ga  Ga0  1  0.47  0.47  0.47  1.0
  Hg  Hg1  1  0.76  0.76  0.76  1.0
  Bi  Bi2  1  0.96  0.96  0.96  1.0

Ga Hg Bi
Ga Hg Bi 0 1 o o o 1 2 o o o 