data_[La2Pr8Y6]
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 [Pmn2_1]
_cell_length_a [11.9275]
_cell_length_b [7.4288]
_cell_length_c [6.4273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaPr4Y3]
_chemical_formula_sum '[La2 Pr8 Y6]'
_cell_volume [569.5050]
_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  2  0.0000  0.3725  0.9845  1.0
  Pr  Pr1  4  0.2460  0.8753  0.6472  1.0
  Pr  Pr2  2  0.0000  0.1270  0.4728  1.0
  Pr  Pr3  2  0.0000  0.8702  0.9849  1.0
  Y  Y4  4  0.2495  0.3789  0.6481  1.0
  Y  Y5  2  0.0000  0.6235  0.4825  1.0
]