data_[Y12Sc4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.3571]
_cell_length_b [16.6725]
_cell_length_c [6.3377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y3ScSn2]
_chemical_formula_sum '[Y12 Sc4 Sn8]'
_cell_volume [671.7168]
_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
[
  Y  Y0  8  0.2489  0.3267  0.5000  1.0
  Y  Y1  4  0.0000  0.5000  0.2500  1.0
  Sc  Sc2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.2417  0.1358  0.5000  1.0
]