data_BeSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   3.35
_cell_angle_alpha   99.58
_cell_angle_beta   99.58
_cell_angle_gamma   99.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiSn2
_chemical_formula_sum   'Be1 Si1 Sn2'
_cell_volume   81.46
_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
  Si  Si1  1  0.25  0.0  0.0  1.0
  Sn  Sn2  1  0.19  0.07  0.62  1.0
  Sn  Sn3  1  0.19  0.93  0.62  1.0

data_BeSiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   99.85
_cell_angle_beta   99.58
_cell_angle_gamma   99.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSiSn2
_chemical_formula_sum   'Be1 Si1 Sn2'
_cell_volume   81.46
_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
  Si  Si1  1  -0.0  0.25  0.0  1.0
  Sn  Sn2  1  0.62  0.19  0.07  1.0
  Sn  Sn3  1  0.62  0.19  0.93  1.0

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