data_[Pr12Sm4Y24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0295]
_cell_length_b [19.0552]
_cell_length_c [6.4642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3SmY6]
_chemical_formula_sum '[Pr12 Sm4 Y24]'
_cell_volume [1358.5725]
_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
[
  Pr  Pr0  8  0.1793  0.1144  0.4606  1
  Pr  Pr1  4  0.0000  0.3871  0.0678  1
  Sm  Sm2  4  0.0000  0.1919  0.1359  1
  Y  Y3  8  0.1681  0.4558  0.5491  1
  Y  Y4  8  0.2368  0.2916  0.3728  1
  Y  Y5  4  0.0000  0.0387  0.8587  1
  Y  Y6  4  0.0000  0.2676  0.6581  1
]