data_HgGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2B
_chemical_formula_sum   'Hg1 Ge2 B1'
_cell_volume   74.29
_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  0.74  0.0  0.56  1.0
  Ge  Ge1  1  0.74  0.0  0.54  1.0
  Ge  Ge2  1  0.0  0.0  0.88  1.0
  B  B0  1  0.0  0.0  0.63  1.0

data_HgGe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2B
_chemical_formula_sum   'Hg1 Ge2 B1'
_cell_volume   74.29
_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  Hg0  1  0.74  0.0  0.56  1.0
  Ge  Ge1  1  0.0  0.0  0.88  1.0
  Ge  Ge2  1  0.74  0.0  0.54  1.0
  B  B3  1  0.0  0.0  0.63  1.0

Hg Ge Ge B