data_[Ce4Y12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.9529]
_cell_length_b [3.6156]
_cell_length_c [8.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeY3Er]
_chemical_formula_sum '[Ce4 Y12 Er4]'
_cell_volume [645.8204]
_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  0.1866  0.0000  0.3814  1.0
  Y  Y1  4  0.0171  0.0000  0.2147  1.0
  Y  Y2  4  0.0838  0.5000  0.5850  1.0
  Y  Y3  4  0.2178  0.0000  0.8165  1.0
  Er  Er4  4  0.1163  0.5000  0.0186  1.0
]