data_[Be2Tl2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.9255]
_cell_length_b [5.1263]
_cell_length_c [9.6396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [BeTlSb2]
_chemical_formula_sum '[Be2 Tl2 Sb4]'
_cell_volume [193.9815]
_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  2  0.0000  0.5000  0.7631  1
  Tl  Tl1  2  0.0000  0.0000  0.5457  1
  Sb  Sb2  2  0.0000  0.0000  0.9329  1
  Sb  Sb3  2  0.0000  0.5000  0.2583  1
]