data_Be5Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   6.25
_cell_angle_alpha   110.55
_cell_angle_beta   110.55
_cell_angle_gamma   52.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Tl
_chemical_formula_sum   'Be5 Tl1'
_cell_volume   73.0
_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  0.12  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.65  0.0  0.75  1.0
  Be  Be3  1  0.93  0.0  0.83  1.0
  Be  Be4  1  0.83  0.0  0.92  1.0
  Tl  Tl5  1  0.78  0.0  0.88  1.0

data_Be5Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.01
_cell_length_c   6.13
_cell_angle_alpha   72.74
_cell_angle_beta   73.29
_cell_angle_gamma   63.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Tl
_chemical_formula_sum   'Be5 Tl1'
_cell_volume   73.0
_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
  Be  Be1  1  0.0  0.1  0.83  1.0
  Be  Be2  1  0.0  0.12  0.0  1.0
  Be  Be3  1  0.0  0.9  0.75  1.0
  Be  Be4  1  0.0  0.92  0.92  1.0
  Tl  Tl5  1  0.0  0.9  0.88  1.0

Be Be Be Be Be Tl
Be Be Be Be Be Tl 0 1 o o o 2 5 o o o 3 5 o o o 3 4 o o o 4 5 o o o 