data_[Be10Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2171]
_cell_length_b [3.5185]
_cell_length_c [6.2336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be5Tl]
_chemical_formula_sum '[Be10 Tl2]'
_cell_volume [145.3834]
_cell_formula_units_Z [2]
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  4  0.1340  0.5000  0.6724  1
  Be  Be1  4  0.1803  0.5000  0.3575  1
  Be  Be2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
]