data_[Y24Er8Sc4]
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 [13.0560]
_cell_length_b [13.6836]
_cell_length_c [6.3487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y6Er2Sc]
_chemical_formula_sum '[Y24 Er8 Sc4]'
_cell_volume [1131.8165]
_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  0.0993  0.4275  0.0848  1
  Y  Y1  8  0.1119  0.2919  0.6061  1
  Y  Y2  8  0.1253  0.1773  0.0979  1
  Er  Er3  8  0.2029  0.0584  0.5423  1
  Sc  Sc4  4  0.0000  0.0325  0.7500  1
]