data_[Sc4Al2Pt2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8336]
_cell_length_b [3.8336]
_cell_length_c [12.3978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Sc2AlPtS]
_chemical_formula_sum '[Sc4 Al2 Pt2 S2]'
_cell_volume [182.2005]
_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  2  0.0000  0.5000  0.1161  1.0
  Sc  Sc1  2  0.0000  0.5000  0.7006  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt3  2  0.0000  0.5000  0.3540  1.0
  S  S4  2  0.0000  0.5000  0.9061  1.0
]