data_BeHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgBi2
_chemical_formula_sum   'Be1 Hg1 Bi2'
_cell_volume   99.76
_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  0.36  1.0
  Hg  Hg3  1  0.03  0.0  0.89  1.0
  Bi  Bi1  1  0.03  0.0  0.55  1.0
  Bi  Bi2  1  0.0  0.0  0.35  1.0

data_BeHgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgBi2
_chemical_formula_sum   'Be1 Hg1 Bi2'
_cell_volume   99.76
_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  0.36  1.0
  Hg  Hg1  1  0.03  0.0  0.89  1.0
  Bi  Bi2  1  0.0  0.0  0.35  1.0
  Bi  Bi3  1  0.03  0.0  0.55  1.0

Be Hg Bi Bi