data_[Ce8As8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2205]
_cell_length_b [18.0672]
_cell_length_c [6.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2As2F]
_chemical_formula_sum '[Ce8 As8 F4]'
_cell_volume [458.4722]
_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  4  0.0000  0.1786  0.5340  1
  Ce  Ce1  4  0.0000  0.4199  0.5629  1
  As  As2  4  0.0000  0.0090  0.7806  1
  As  As3  4  0.0000  0.1994  0.0355  1
  F  F4  4  0.0000  0.3766  0.9527  1
]