data_[Be1Tl1Sb1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.9941]
_cell_length_b [6.9941]
_cell_length_c [7.4461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [BeTlSbCl6]
_chemical_formula_sum '[Be1 Tl1 Sb1 Cl6]'
_cell_volume [315.4439]
_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  0.6667  0.3333  0.2916  1.0
  Tl  Tl1  1  0.3333  0.6667  0.0298  1.0
  Sb  Sb2  1  0.0000  0.0000  0.5762  1.0
  Cl  Cl3  3  0.3050  0.0231  0.7472  1.0
  Cl  Cl4  3  0.3872  0.3263  0.2869  1.0
]