data_[Sc8Pt2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8427]
_cell_length_b [7.7853]
_cell_length_c [6.6200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sc4PtSe3]
_chemical_formula_sum '[Sc8 Pt2 Se6]'
_cell_volume [333.0828]
_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  0.2394  0.3585  0.4895  1
  Sc  Sc1  4  0.2412  0.1230  0.0045  1
  Pt  Pt2  2  0.0000  0.1169  0.2500  1
  Se  Se3  2  0.0000  0.3809  0.7500  1
  Se  Se4  2  0.5000  0.1263  0.7500  1
  Se  Se5  2  0.5000  0.3856  0.2500  1
]