data_[Pr12Y2Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8102]
_cell_length_b [11.5744]
_cell_length_c [6.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6YAl]
_chemical_formula_sum '[Pr12 Y2 Al2]'
_cell_volume [534.6536]
_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
[
  Pr  Pr0  8  0.1305  0.2152  0.7646  1.0
  Pr  Pr1  4  0.2483  0.5000  0.5629  1.0
  Y  Y2  2  0.0000  0.5000  0.0000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
]