data_ZnHgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   152.51
_cell_angle_beta   150.54
_cell_angle_gamma   40.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgB
_chemical_formula_sum   'Zn1 Hg1 B1'
_cell_volume   52.7
_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
  Zn  Zn2  1  0.0  0.0  0.48  1.0
  Hg  Hg1  1  0.0  0.0  0.7  1.0
  B  B0  1  0.0  0.0  0.36  1.0

data_ZnHgB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.13
_cell_length_c   6.15
_cell_angle_alpha   104.73
_cell_angle_beta   103.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgB
_chemical_formula_sum   'Zn1 Hg1 B1'
_cell_volume   52.7
_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
  Zn  Zn0  1  0.0  0.48  0.48  1.0
  Hg  Hg1  1  0.0  0.7  0.7  1.0
  B  B2  1  0.0  0.36  0.36  1.0

Zn Hg B