data_[Ce1Tm3Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4934]
_cell_length_b [5.4934]
_cell_length_c [8.7267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeTm3Zn8]
_chemical_formula_sum '[Ce1 Tm3 Zn8]'
_cell_volume [228.0696]
_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  0.4421  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0663  1.0
  Tm  Tm2  1  0.6667  0.3333  0.5557  1.0
  Tm  Tm3  1  0.6667  0.3333  0.9356  1.0
  Zn  Zn4  3  0.1635  0.8365  0.7545  1.0
  Zn  Zn5  3  0.5035  0.0071  0.2461  1.0
  Zn  Zn6  1  0.3333  0.6667  0.4996  1.0
  Zn  Zn7  1  0.3333  0.6667  0.9988  1.0
]