data_[Sc4Sn2Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5786]
_cell_length_b [5.8659]
_cell_length_c [14.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc2SnPt8]
_chemical_formula_sum '[Sc4 Sn2 Pt16]'
_cell_volume [381.3805]
_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
[
  Sc  Sc0  4  0.0000  0.5000  0.1926  1
  Sn  Sn1  2  0.0000  0.5000  0.5000  1
  Pt  Pt2  8  0.0000  0.2319  0.6433  1
  Pt  Pt3  4  0.0000  0.0000  0.1794  1
  Pt  Pt4  4  0.0000  0.2657  0.0000  1
]