data_[Ce3Sc3Zn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9501]
_cell_length_b [8.9501]
_cell_length_c [13.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeScZn17]
_chemical_formula_sum '[Ce3 Sc3 Zn51]'
_cell_volume [911.8638]
_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  0.3361  1
  Sc  Sc1  3  0.0000  0.0000  0.6670  1
  Zn  Zn2  18  0.0370  0.3669  0.6668  1
  Zn  Zn3  9  0.0022  0.5011  0.1508  1
  Zn  Zn4  9  0.1701  0.3402  0.8354  1
  Zn  Zn5  9  0.1754  0.8246  0.1815  1
  Zn  Zn6  3  0.0000  0.0000  0.0967  1
  Zn  Zn7  3  0.0000  0.0000  0.8962  1
]