data_HgGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeB2
_chemical_formula_sum   'Hg1 Ge1 B2'
_cell_volume   61.76
_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
  Hg  Hg3  1  0.36  0.36  0.61  1.0
  Ge  Ge2  1  0.0  0.0  0.47  1.0
  B  B0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.36  0.36  0.11  1.0

data_HgGeB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgGeB2
_chemical_formula_sum   'Hg2 Ge2 B4'
_cell_volume   123.51
_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
  Hg  Hg0  2  0.36  0.0  0.61  1.0
  Ge  Ge1  2  0.0  0.0  0.47  1.0
  B  B2  2  0.0  0.0  0.29  1.0
  B  B3  2  0.36  0.0  0.11  1.0

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