data_[La12Al4In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6334]
_cell_length_b [19.2113]
_cell_length_c [5.6418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3AlIn]
_chemical_formula_sum '[La12 Al4 In4]'
_cell_volume [610.5787]
_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  0.0000  0.0660  0.2500  1
  La  La1  4  0.0000  0.2532  0.2500  1
  La  La2  4  0.0000  0.4451  0.2500  1
  Al  Al3  4  0.0000  0.3507  0.7500  1
  In  In4  4  0.0000  0.1515  0.7500  1
]