data_[La4Y4In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9709]
_cell_length_b [29.5342]
_cell_length_c [4.8690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaYIn3]
_chemical_formula_sum '[La4 Y4 In12]'
_cell_volume [571.0252]
_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  0.0752  0.2500  1.0
  Y  Y1  4  0.0000  0.2101  0.7500  1.0
  In  In2  4  0.0000  0.3186  0.7500  1.0
  In  In3  4  0.0000  0.3763  0.2500  1.0
  In  In4  4  0.0000  0.4749  0.2500  1.0
]