data_[Pr10Sc2Sn8]
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 [C2/m]
_cell_length_a [19.5174]
_cell_length_b [3.7732]
_cell_length_c [9.6245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5ScSn4]
_chemical_formula_sum '[Pr10 Sc2 Sn8]'
_cell_volume [681.7574]
_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  0.1689  0.0000  0.3602  1
  Pr  Pr1  4  0.1690  0.0000  0.8212  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Sn  Sn4  4  0.0002  0.0000  0.2373  1
  Sn  Sn5  4  0.1612  0.5000  0.0868  1
]