data_[La12Pr6Y2]
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 [P2_1/m]
_cell_length_a [11.8841]
_cell_length_b [3.7116]
_cell_length_c [17.0760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La6Pr3Y]
_chemical_formula_sum '[La12 Pr6 Y2]'
_cell_volume [732.0005]
_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  0.0525  0.7500  0.1029  1
  La  La1  2  0.1039  0.2500  0.5852  1
  La  La2  2  0.1979  0.7500  0.8507  1
  La  La3  2  0.2384  0.7500  0.4337  1
  La  La4  2  0.3289  0.2500  0.2531  1
  La  La5  2  0.4833  0.2500  0.8987  1
  Pr  Pr6  2  0.2611  0.2500  0.0300  1
  Pr  Pr7  2  0.3460  0.7500  0.7137  1
  Pr  Pr8  2  0.4645  0.2500  0.5803  1
  Y  Y9  2  0.0445  0.2500  0.2880  1
]