data_[Al4Tl8Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [9.9060]
_cell_length_b [9.9060]
_cell_length_c [4.5894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [AlTl2Co]
_chemical_formula_sum '[Al4 Tl8 Co4]'
_cell_volume [450.3504]
_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
[
  Al  Al0  4  0.0000  0.0000  0.5000  1
  Tl  Tl1  8  0.0000  0.2500  0.1250  1
  Co  Co2  4  0.0000  0.0000  0.0000  1
]