data_GaHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.38
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgB2
_chemical_formula_sum   'Ga1 Hg1 B2'
_cell_volume   59.99
_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  Ga2  1  0.0  0.0  0.18  1.0
  Hg  Hg3  1  0.46  0.69  0.15  1.0
  B  B0  1  0.0  0.0  0.25  1.0
  B  B1  1  0.46  0.69  0.54  1.0

data_GaHgB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.38
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgB2
_chemical_formula_sum   'Ga1 Hg1 B2'
_cell_volume   59.99
_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  0.0  0.0  0.18  1.0
  Hg  Hg1  1  0.46  0.69  0.15  1.0
  B  B2  1  0.0  0.0  0.25  1.0
  B  B3  1  0.46  0.69  0.54  1.0

Ga Hg B B
Ga Hg B B 0 2 o o o 0 1 o - o 0 1 - - o 0 3 o - o 0 3 - - o 1 2 o + o 1 2 + + o 1 3 o o o 2 3 o - o 2 3 - - o 3 3 + o o 