data_[La4Pr12Y8]
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 [Cmcm]
_cell_length_a [3.7022]
_cell_length_b [19.1609]
_cell_length_c [11.9917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaPr3Y2]
_chemical_formula_sum '[La4 Pr12 Y8]'
_cell_volume [850.6535]
_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  4  0.0000  0.2201  0.2500  1.0
  Pr  Pr1  8  0.0000  0.3359  0.0005  1.0
  Pr  Pr2  4  0.0000  0.1086  0.7500  1.0
  Y  Y3  4  0.0000  0.0000  0.0000  1.0
  Y  Y4  4  0.0000  0.4463  0.7500  1.0
]