data_BeTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   151.78
_cell_angle_beta   131.22
_cell_angle_gamma   57.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Sn
_chemical_formula_sum   'Be1 Tl2 Sn1'
_cell_volume   100.88
_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  0.86  1.0
  Tl  Tl2  1  0.0  0.0  0.54  1.0
  Tl  Tl3  1  0.61  0.0  0.52  1.0
  Sn  Sn1  1  0.0  0.72  0.2  1.0

data_BeTl2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.44
_cell_length_c   6.58
_cell_angle_alpha   114.39
_cell_angle_beta   104.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Sn
_chemical_formula_sum   'Be1 Tl2 Sn1'
_cell_volume   100.88
_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  0.14  0.14  0.14  1.0
  Tl  Tl1  1  0.09  0.48  0.09  1.0
  Tl  Tl2  1  0.46  0.46  0.46  1.0
  Sn  Sn3  1  0.8  0.52  0.52  1.0

Be Tl Tl Sn