data_BeTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2
_chemical_formula_sum   'Be4 Tl8'
_cell_volume   369.73
_cell_formula_units_Z   4
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  0.18  0.83  0.81  1.0
  Be  Be1  1  0.0  0.67  0.09  1.0
  Be  Be2  1  0.0  0.67  0.76  1.0
  Be  Be3  1  0.18  0.83  0.48  1.0
  Tl  Tl4  1  0.0  0.0  0.28  1.0
  Tl  Tl5  1  0.0  0.0  0.0  1.0
  Tl  Tl6  1  0.57  0.58  0.93  1.0
  Tl  Tl7  1  0.6  0.93  0.64  1.0
  Tl  Tl8  1  0.43  0.58  0.93  1.0
  Tl  Tl9  1  0.0  0.85  0.93  1.0
  Tl  Tl10  1  0.18  0.65  0.64  1.0
  Tl  Tl11  1  0.75  0.93  0.64  1.0

data_BeTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2
_chemical_formula_sum   'Be4 Tl8'
_cell_volume   369.73
_cell_formula_units_Z   4
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  0.67  0.09  1.0
  Be  Be1  1  0.0  0.67  0.76  1.0
  Be  Be2  1  0.18  0.83  0.48  1.0
  Be  Be3  1  0.18  0.83  0.81  1.0
  Tl  Tl4  1  0.0  0.0  0.0  1.0
  Tl  Tl5  1  0.0  0.0  0.28  1.0
  Tl  Tl6  1  0.0  0.85  0.93  1.0
  Tl  Tl7  1  0.18  0.65  0.64  1.0
  Tl  Tl8  1  0.43  0.58  0.93  1.0
  Tl  Tl9  1  0.57  0.58  0.93  1.0
  Tl  Tl10  1  0.6  0.93  0.64  1.0
  Tl  Tl11  1  0.75  0.93  0.64  1.0

Be Be Be Be Tl Tl Tl Tl Tl Tl Tl Tl