data_GaHgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   149.73
_cell_angle_beta   149.73
_cell_angle_gamma   43.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgB
_chemical_formula_sum   'Ga1 Hg1 B1'
_cell_volume   55.33
_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  0.31  1.0
  Hg  Hg2  1  0.0  0.0  0.6  1.0
  B  B0  1  0.0  0.0  0.29  1.0

data_GaHgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaHgB
_chemical_formula_sum   'Ga2 Hg2 B2'
_cell_volume   110.66
_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
  Ga  Ga0  2  0.31  0.0  0.31  1.0
  Hg  Hg1  2  0.1  0.5  0.6  1.0
  B  B2  2  0.29  0.0  0.29  1.0

Ga Hg B
Ga Hg B 0 2 o o o 0 1 o o o 1 2 o o o 