data_[Ce4Er16Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2084]
_cell_length_b [6.8480]
_cell_length_c [5.5606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Er8Sc]
_chemical_formula_sum '[Ce4 Er16 Sc2]'
_cell_volume [692.8575]
_cell_formula_units_Z [2]
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
[
  Ce  Ce0  4  0.2166  0.5000  0.2595  1
  Er  Er1  8  0.1278  0.2655  0.7388  1
  Er  Er2  4  0.0470  0.5000  0.2355  1
  Er  Er3  4  0.1823  0.0000  0.2335  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]