data_[Ce4Er4Sc16]
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/c]
_cell_length_a [18.5315]
_cell_length_b [5.9882]
_cell_length_c [5.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeErSc4]
_chemical_formula_sum '[Ce4 Er4 Sc16]'
_cell_volume [646.7019]
_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
[
  Ce  Ce0  4  0.2500  0.2500  0.0000  1
  Er  Er1  4  0.0000  0.0753  0.2500  1
  Sc  Sc2  8  0.0735  0.3919  0.9197  1
  Sc  Sc3  8  0.1534  0.1655  0.4923  1
]