data_[Y4Sc2In6Se12]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0746]
_cell_length_b [12.2414]
_cell_length_c [8.0572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Sc(InSe2)3]
_chemical_formula_sum '[Y4 Sc2 In6 Se12]'
_cell_volume [667.4019]
_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
[
  Y  Y0  4  0.0000  0.3336  0.0000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.1703  0.5000  1
  In  In3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2283  0.1601  0.2046  1
  Se  Se5  4  0.2488  0.5000  0.2089  1
]