data_[Pr10Al4Sn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3198]
_cell_length_b [4.5498]
_cell_length_c [12.0810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Al2Sn5]
_chemical_formula_sum '[Pr10 Al4 Sn10]'
_cell_volume [688.9576]
_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  4  0.1105  0.5000  0.9249  1.0
  Pr  Pr1  4  0.2022  0.5000  0.3333  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Al  Al3  4  0.1400  0.0000  0.7542  1.0
  Sn  Sn4  4  0.0627  0.0000  0.3465  1.0
  Sn  Sn5  4  0.2470  0.0000  0.1855  1.0
  Sn  Sn6  2  0.0000  0.0000  0.0000  1.0
]