data_[Y4Sc8]
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 [Cm]
_cell_length_a [12.2282]
_cell_length_b [3.4439]
_cell_length_c [7.9920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YSc2]
_chemical_formula_sum '[Y4 Sc8]'
_cell_volume [328.4148]
_cell_formula_units_Z [4]
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  2  0.0523  0.0000  0.6035  1.0
  Y  Y1  2  0.2233  0.5000  0.9478  1.0
  Sc  Sc2  2  0.1704  0.5000  0.3308  1.0
  Sc  Sc3  2  0.3335  0.0000  0.6635  1.0
  Sc  Sc4  2  0.3891  0.0000  0.2787  1.0
  Sc  Sc5  2  0.4979  0.5000  0.0090  1.0
]