data_[Y4Er8Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.9051]
_cell_length_b [6.9047]
_cell_length_c [5.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y(ErSc)2]
_chemical_formula_sum '[Y4 Er8 Sc8]'
_cell_volume [569.0512]
_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  4  0.3036  0.1230  0.8507  1.0
  Er  Er1  4  0.0980  0.1238  0.1214  1.0
  Er  Er2  4  0.3028  0.6271  0.8531  1.0
  Sc  Sc3  4  0.1000  0.6265  0.1148  1.0
  Sc  Sc4  4  0.4999  0.6251  0.2483  1.0
]