data_[Y12Er20Sc4]
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 [C2/c]
_cell_length_a [15.4344]
_cell_length_b [8.5426]
_cell_length_c [10.9002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3Er5Sc]
_chemical_formula_sum '[Y12 Er20 Sc4]'
_cell_volume [1130.2842]
_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  8  0.1777  0.3757  0.0053  1
  Y  Y1  4  0.2500  0.2500  0.5000  1
  Er  Er2  8  0.0825  0.3371  0.6212  1
  Er  Er3  8  0.1412  0.0534  0.1350  1
  Er  Er4  4  0.0000  0.0516  0.7500  1
  Sc  Sc5  4  0.0000  0.3536  0.2500  1
]