data_[Be12Tl8Co8F48]
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
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [10.3613]
_cell_length_b [10.3613]
_cell_length_c [10.3613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Be3Tl2Co2F12]
_chemical_formula_sum '[Be12 Tl8 Co8 F48]'
_cell_volume [1112.3573]
_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  12  0.0198  0.2152  0.3760  1
  Tl  Tl1  4  0.0489  0.0489  0.0489  1
  Tl  Tl2  4  0.1830  0.3170  0.6830  1
  Co  Co3  4  0.0984  0.9016  0.4016  1
  Co  Co4  4  0.1646  0.6646  0.8354  1
  F  F5  12  0.0041  0.5625  0.7669  1
  F  F6  12  0.0124  0.0688  0.3293  1
  F  F7  12  0.0450  0.8064  0.2300  1
  F  F8  12  0.0981  0.8363  0.7558  1
]