data_BeSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.61
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Hg
_chemical_formula_sum   'Be1 Sn2 Hg1'
_cell_volume   94.82
_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  Sn2  1  0.05  0.8  0.84  1.0
  Sn  Sn3  1  0.92  0.8  0.57  1.0
  Hg  Hg1  1  0.48  0.0  0.21  1.0

data_BeSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.61
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSn2Hg
_chemical_formula_sum   'Be1 Sn2 Hg1'
_cell_volume   94.82
_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  0.05  0.8  0.84  1.0
  Sn  Sn2  1  0.92  0.8  0.57  1.0
  Hg  Hg3  1  0.48  0.0  0.21  1.0

Be Sn Sn Hg
Be Sn Sn Hg 0 1 o - - 0 3 o o o 0 3 - o o 1 2 - o o 