data_[Y8Sc6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9046]
_cell_length_b [4.8760]
_cell_length_c [7.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4Sc3]
_chemical_formula_sum '[Y8 Sc6]'
_cell_volume [403.2237]
_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  0.0692  0.5000  0.7279  1
  Y  Y1  4  0.1444  0.0000  0.4239  1
  Sc  Sc2  4  0.2184  0.5000  0.1363  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
]