data_[Be8Tl4Ga4Cl24]
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
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1440]
_cell_length_b [12.9422]
_cell_length_c [8.4521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be2TlGaCl6]
_chemical_formula_sum '[Be8 Tl4 Ga4 Cl24]'
_cell_volume [1263.4603]
_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  8  0.2441  0.1594  0.7496  1
  Tl  Tl1  4  0.0000  0.1382  0.2500  1
  Ga  Ga2  4  0.0000  0.4081  0.7500  1
  Cl  Cl3  8  0.1048  0.3960  0.1291  1
  Cl  Cl4  8  0.1181  0.0710  0.6369  1
  Cl  Cl5  8  0.2268  0.3074  0.7342  1
]