data_[La12Al4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5344]
_cell_length_b [5.3808]
_cell_length_c [9.5748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AlCo]
_chemical_formula_sum '[La12 Al4 Co4]'
_cell_volume [551.7320]
_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
[
  La  La0  4  0.1226  0.0000  0.2583  1.0
  La  La1  4  0.1273  0.5000  0.9274  1.0
  La  La2  4  0.1494  0.0000  0.6425  1.0
  Al  Al3  4  0.0833  0.5000  0.4349  1.0
  Co  Co4  4  0.0967  0.0000  0.9423  1.0
]