data_[Ba2Tl2Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6624]
_cell_length_b [3.6624]
_cell_length_c [12.0233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaTlCo]
_chemical_formula_sum '[Ba2 Tl2 Co2]'
_cell_volume [161.2723]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0069  1
  Tl  Tl1  2  0.0000  0.0000  0.2878  1
  Co  Co2  2  0.0000  0.0000  0.7053  1
]