data_Hg2BCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   10.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BCl
_chemical_formula_sum   'Hg2 B1 Cl1'
_cell_volume   101.27
_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  Hg2  1  0.0  0.0  0.51  1.0
  Hg  Hg3  1  0.52  0.0  0.5  1.0
  B  B0  1  0.0  0.0  0.33  1.0
  Cl  Cl1  1  0.52  0.0  0.91  1.0

data_Hg2BCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.41
_cell_length_c   10.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BCl
_chemical_formula_sum   'Hg2 B1 Cl1'
_cell_volume   101.27
_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  0.0  0.0  0.51  1.0
  Hg  Hg1  1  0.0  0.52  0.5  1.0
  B  B2  1  0.0  0.0  0.33  1.0
  Cl  Cl3  1  0.0  0.52  0.91  1.0

Hg Hg B Cl