data_[La8Y4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5421]
_cell_length_b [3.7483]
_cell_length_c [8.7651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2Y]
_chemical_formula_sum '[La8 Y4]'
_cell_volume [432.0015]
_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  2  0.0015  0.0000  0.9992  1.0
  La  La1  2  0.1656  0.5000  0.3370  1.0
  La  La2  2  0.3334  0.0000  0.6655  1.0
  La  La3  2  0.3896  0.0000  0.2748  1.0
  Y  Y4  2  0.0561  0.0000  0.6166  1.0
  Y  Y5  2  0.2205  0.5000  0.9402  1.0
]