data_[Ce8Zn4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7681]
_cell_length_b [8.8368]
_cell_length_c [10.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2ZnF11]
_chemical_formula_sum '[Ce8 Zn4 F44]'
_cell_volume [902.7597]
_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  8  0.2182  0.1008  0.2008  1
  Zn  Zn1  4  0.0000  0.3848  0.2500  1
  F  F2  8  0.0584  0.2148  0.1802  1
  F  F3  8  0.0881  0.5379  0.2092  1
  F  F4  8  0.1530  0.1313  0.9504  1
  F  F5  8  0.1699  0.3881  0.5091  1
  F  F6  8  0.2297  0.1520  0.7462  1
  F  F7  4  0.0000  0.0000  0.0000  1
]