data_BeTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   3.62
_cell_angle_alpha   104.63
_cell_angle_beta   104.63
_cell_angle_gamma   122.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Pb
_chemical_formula_sum   'Be1 Tl2 Pb1'
_cell_volume   107.22
_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
  Tl  Tl2  1  0.59  0.17  0.54  1.0
  Tl  Tl3  1  0.59  0.83  0.54  1.0
  Pb  Pb1  1  0.09  0.0  0.0  1.0

data_BeTl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.26
_cell_length_c   6.44
_cell_angle_alpha   112.88
_cell_angle_beta   104.63
_cell_angle_gamma   93.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Pb
_chemical_formula_sum   'Be1 Tl2 Pb1'
_cell_volume   107.22
_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
  Tl  Tl1  1  0.36  0.83  0.42  1.0
  Tl  Tl2  1  0.71  0.17  0.76  1.0
  Pb  Pb3  1  0.0  0.0  0.09  1.0

Be Tl Tl Pb