data_[Sc2Zn6Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4387]
_cell_length_b [4.0628]
_cell_length_c [9.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc(ZnPt2)3]
_chemical_formula_sum '[Sc2 Zn6 Pt12]'
_cell_volume [307.5927]
_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  0.0609  0.2500  0.3852  1
  Zn  Zn1  2  0.2504  0.2500  0.0164  1
  Zn  Zn2  2  0.3476  0.7500  0.8105  1
  Zn  Zn3  2  0.4480  0.2500  0.6046  1
  Pt  Pt4  2  0.0614  0.7500  0.9087  1
  Pt  Pt5  2  0.1525  0.7500  0.2108  1
  Pt  Pt6  2  0.1587  0.2500  0.7073  1
  Pt  Pt7  2  0.2616  0.7500  0.5112  1
  Pt  Pt8  2  0.3718  0.2500  0.3082  1
  Pt  Pt9  2  0.4587  0.7500  0.1013  1
]