data_[La16Y4In4]
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 [C2/c]
_cell_length_a [10.7740]
_cell_length_b [6.2939]
_cell_length_c [12.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4YIn]
_chemical_formula_sum '[La16 Y4 In4]'
_cell_volume [792.7464]
_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  8  0.0750  0.2255  0.4936  1
  La  La1  8  0.1710  0.4244  0.2488  1
  Y  Y2  4  0.2500  0.2500  0.0000  1
  In  In3  4  0.0000  0.0918  0.7500  1
]