data_[Ce3Er1Zn8]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6040]
_cell_length_b [5.6040]
_cell_length_c [8.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce3ErZn8]
_chemical_formula_sum '[Ce3 Er1 Zn8]'
_cell_volume [232.6950]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9428  1
  Ce  Ce1  1  0.6667  0.3333  0.0774  1
  Ce  Ce2  1  0.6667  0.3333  0.4165  1
  Er  Er3  1  0.0000  0.0000  0.5641  1
  Zn  Zn4  3  0.1665  0.3330  0.2533  1
  Zn  Zn5  3  0.5037  0.0075  0.7469  1
  Zn  Zn6  1  0.3333  0.6667  0.5008  1
  Zn  Zn7  1  0.3333  0.6667  0.9976  1
]