data_[Er4Sc20Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5196]
_cell_length_b [11.9308]
_cell_length_c [16.3941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ErSc5Ni2]
_chemical_formula_sum '[Er4 Sc20 Ni8]'
_cell_volume [688.4154]
_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  4  0.0000  0.3555  0.2500  1
  Sc  Sc1  8  0.0000  0.0555  0.1022  1
  Sc  Sc2  8  0.0000  0.3448  0.0440  1
  Sc  Sc3  4  0.0000  0.3790  0.7500  1
  Ni  Ni4  8  0.0000  0.2590  0.6242  1
]