data_[Ce2Er4Sc16]
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 [8.3937]
_cell_length_b [15.2318]
_cell_length_c [5.4156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(ErSc4)2]
_chemical_formula_sum '[Ce2 Er4 Sc16]'
_cell_volume [583.8169]
_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  2  0.0000  0.0000  0.5000  1
  Er  Er1  4  0.0000  0.3064  0.0000  1
  Sc  Sc2  8  0.2152  0.1167  0.1816  1
  Sc  Sc3  4  0.0000  0.2058  0.5000  1
  Sc  Sc4  4  0.0667  0.5000  0.2903  1
]