data_[La2Y13]
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 [P-1]
_cell_length_a [6.7355]
_cell_length_b [9.0803]
_cell_length_c [9.1317]
_cell_angle_alpha [65.5334]
_cell_angle_beta [82.0939]
_cell_angle_gamma [81.2244]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2Y13]
_chemical_formula_sum '[La2 Y13]'
_cell_volume [500.6743]
_cell_formula_units_Z [1]
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  0.1261  0.7811  0.4068  1.0
  Y  Y1  2  0.0953  0.4498  0.7500  1.0
  Y  Y2  2  0.2064  0.2089  0.1910  1.0
  Y  Y3  2  0.2922  0.6354  0.9665  1.0
  Y  Y4  2  0.2945  0.9723  0.6271  1.0
  Y  Y5  2  0.4068  0.4015  0.3945  1.0
  Y  Y6  2  0.4757  0.1667  0.8416  1.0
  Y  Y7  1  0.0000  0.0000  0.0000  1.0
]