data_[La2Ti6Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3453]
_cell_length_b [6.3453]
_cell_length_c [9.0706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La(TiCo2)3]
_chemical_formula_sum '[La2 Ti6 Co12]'
_cell_volume [365.2092]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  4  0.0000  0.5000  0.2500  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Co  Co3  8  0.0000  0.3378  0.0000  1
  Co  Co4  4  0.0000  0.0000  0.2740  1
]