data_[La9Y27]
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 [R-3m]
_cell_length_a [7.3129]
_cell_length_b [7.3129]
_cell_length_c [26.2964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LaY3]
_chemical_formula_sum '[La9 Y27]'
_cell_volume [1217.8962]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.2209  1.0
  La  La1  3  0.0000  0.0000  0.0000  1.0
  Y  Y2  18  0.0030  0.5015  0.2226  1.0
  Y  Y3  9  0.0000  0.5000  0.0000  1.0
]