data_ZnHg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   3.5
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2B
_chemical_formula_sum   'Zn1 Hg2 B1'
_cell_volume   77.23
_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  Zn3  1  0.37  0.0  0.43  1.0
  Hg  Hg1  1  0.46  0.75  0.82  1.0
  Hg  Hg2  1  0.29  0.75  0.03  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ZnHg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.55
_cell_length_c   5.18
_cell_angle_alpha   110.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHg2B
_chemical_formula_sum   'Zn1 Hg2 B1'
_cell_volume   77.23
_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  0.63  0.57  1.0
  Hg  Hg1  1  0.25  0.54  0.18  1.0
  Hg  Hg2  1  0.25  0.71  0.97  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Zn Hg Hg B