data_[La16Y4In2]
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/m]
_cell_length_a [18.7164]
_cell_length_b [5.0933]
_cell_length_c [8.2535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Y2In]
_chemical_formula_sum '[La16 Y4 In2]'
_cell_volume [757.4760]
_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  4  0.0448  0.0000  0.7348  1
  La  La1  4  0.0902  0.5000  0.4480  1
  La  La2  4  0.1357  0.0000  0.1763  1
  La  La3  4  0.1749  0.5000  0.9081  1
  Y  Y4  4  0.2264  0.0000  0.6343  1
  In  In5  2  0.0000  0.5000  0.0000  1
]