data_[Ce3Er9Fe24]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1356]
_cell_length_b [5.1356]
_cell_length_c [25.0112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeEr3Fe8]
_chemical_formula_sum '[Ce3 Er9 Fe24]'
_cell_volume [571.2667]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1258  1.0
  Er  Er1  3  0.0000  0.0000  0.0004  1.0
  Er  Er2  3  0.0000  0.0000  0.4995  1.0
  Er  Er3  3  0.0000  0.0000  0.6249  1.0
  Fe  Fe4  9  0.0018  0.5009  0.5630  1.0
  Fe  Fe5  9  0.1673  0.3346  0.3953  1.0
  Fe  Fe6  3  0.0000  0.0000  0.3122  1.0
  Fe  Fe7  3  0.0000  0.0000  0.8124  1.0
]