data_BeSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   3.73
_cell_angle_alpha   107.34
_cell_angle_beta   107.34
_cell_angle_gamma   122.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnHg2
_chemical_formula_sum   'Be1 Sn1 Hg2'
_cell_volume   90.68
_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  0.0  1.0
  Sn  Sn3  1  0.91  0.0  0.0  1.0
  Hg  Hg1  1  0.29  0.67  0.46  1.0
  Hg  Hg2  1  0.29  0.33  0.46  1.0

data_BeSnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.55
_cell_length_c   6.08
_cell_angle_alpha   111.55
_cell_angle_beta   107.34
_cell_angle_gamma   91.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnHg2
_chemical_formula_sum   'Be1 Sn1 Hg2'
_cell_volume   90.68
_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  0.0  1.0
  Sn  Sn1  1  -0.0  0.0  0.91  1.0
  Hg  Hg2  1  0.13  0.67  0.96  1.0
  Hg  Hg3  1  0.79  0.33  0.62  1.0

Be Sn Hg Hg