data_[Pr6Sc8Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4330]
_cell_length_b [8.8294]
_cell_length_c [15.9223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3(ScSn)4]
_chemical_formula_sum '[Pr6 Sc8 Sn8]'
_cell_volume [623.2076]
_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  0.0000  0.0000  0.1132  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc2  8  0.0000  0.1943  0.3252  1.0
  Sn  Sn3  4  0.0000  0.2891  0.5000  1.0
  Sn  Sn4  4  0.0000  0.5000  0.2310  1.0
]