data_BeHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   147.66
_cell_angle_beta   111.37
_cell_angle_gamma   77.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgCl2
_chemical_formula_sum   'Be1 Hg1 Cl2'
_cell_volume   90.93
_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
  Be  Be0  1  0.0  0.0  0.08  1.0
  Hg  Hg3  1  0.59  0.0  0.09  1.0
  Cl  Cl1  1  0.59  0.0  0.78  1.0
  Cl  Cl2  1  0.0  0.0  0.37  1.0

data_BeHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   68.63
_cell_angle_beta   73.83
_cell_angle_gamma   73.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgCl2
_chemical_formula_sum   'Be1 Hg1 Cl2'
_cell_volume   90.93
_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
  Be  Be0  1  0.0  -0.0  0.08  1.0
  Hg  Hg1  1  0.0  0.41  0.09  1.0
  Cl  Cl2  1  0.0  -0.0  0.37  1.0
  Cl  Cl3  1  0.0  0.41  0.78  1.0

Be Hg Cl Cl