data_[Er20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [15.1680]
_cell_length_b [6.0707]
_cell_length_c [8.8966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er5Sc2]
_chemical_formula_sum '[Er20 Sc8]'
_cell_volume [814.3405]
_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
[
  Er  Er0  8  0.1386  0.1710  0.4624  1.0
  Er  Er1  8  0.2157  0.3357  0.8219  1.0
  Er  Er2  4  0.0000  0.1722  0.7500  1.0
  Sc  Sc3  8  0.0699  0.3357  0.1068  1.0
]