data_[La10Pr12Y2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4633]
_cell_length_b [11.1175]
_cell_length_c [12.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Pr6Y]
_chemical_formula_sum '[La10 Pr12 Y2]'
_cell_volume [870.4244]
_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  0.0000  0.1666  0.5000  1.0
  La  La1  4  0.0000  0.3328  0.0000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  8  0.2480  0.1664  0.2486  1.0
  Pr  Pr4  4  0.2495  0.5000  0.2483  1.0
  Y  Y5  2  0.0000  0.0000  0.0000  1.0
]