data_[La8Pr6Y2]
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 [12.0278]
_cell_length_b [7.4939]
_cell_length_c [6.4689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La4Pr3Y]
_chemical_formula_sum '[La8 Pr6 Y2]'
_cell_volume [583.0778]
_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  0.2466  0.1247  0.0250  1
  La  La1  2  0.0000  0.1252  0.3596  1
  La  La2  2  0.0000  0.6278  0.3548  1
  Pr  Pr3  4  0.2497  0.3763  0.5208  1
  Pr  Pr4  2  0.0000  0.8742  0.8520  1
  Y  Y5  2  0.0000  0.3768  0.8573  1
]