data_Be2AlTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlTl
_chemical_formula_sum   'Be2 Al1 Tl1'
_cell_volume   63.4
_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  Be1  1  0.0  0.24  0.59  1.0
  Be  Be2  1  0.24  0.0  0.59  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.24  0.24  0.0  1.0

data_Be2AlTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2AlTl
_chemical_formula_sum   'Be4 Al2 Tl2'
_cell_volume   126.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.12  0.12  0.59  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Tl  Tl2  2  0.24  0.0  0.0  1.0

Be Be Al Tl
Be Be Al Tl 0 2 o o + 0 1 o o o 0 3 o o + 1 2 o o + 1 3 o o + 2 3 o o o 