data_[Ce4Fe4W12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5161]
_cell_length_b [7.5651]
_cell_length_c [16.5475]
_cell_angle_alpha [101.0697]
_cell_angle_beta [95.8666]
_cell_angle_gamma [98.8416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeFe(WO4)3]
_chemical_formula_sum '[Ce4 Fe4 W12 O48]'
_cell_volume [903.9512]
_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  2  0.0146  0.2076  0.3334  1
  Ce  Ce1  2  0.3842  0.6365  0.3318  1
  Fe  Fe2  2  0.2135  0.0401  0.0007  1
  Fe  Fe3  2  0.2948  0.4593  0.9991  1
  W  W4  2  0.0042  0.3580  0.1414  1
  W  W5  2  0.0682  0.2878  0.5917  1
  W  W6  2  0.0755  0.7898  0.1454  1
  W  W7  2  0.4270  0.7132  0.8493  1
  W  W8  2  0.4799  0.7949  0.5926  1
  W  W9  2  0.4840  0.1444  0.8518  1
  O  O10  2  0.0024  0.1382  0.0672  1
  O  O11  2  0.0141  0.9225  0.3800  1
  O  O12  2  0.0206  0.3817  0.7979  1
  O  O13  2  0.0409  0.2599  0.4820  1
  O  O14  2  0.0681  0.9934  0.2146  1
  O  O15  2  0.0702  0.5462  0.3671  1
  O  O16  2  0.1174  0.5135  0.0745  1
  O  O17  2  0.1278  0.2331  0.9340  1
  O  O18  2  0.1754  0.7279  0.7947  1
  O  O19  2  0.1833  0.3654  0.2213  1
  O  O20  2  0.2499  0.8795  0.0757  1
  O  O21  2  0.2521  0.6151  0.9209  1
  O  O22  2  0.2761  0.7497  0.6368  1
  O  O23  2  0.3028  0.1387  0.7770  1
  O  O24  2  0.3051  0.3570  0.6261  1
  O  O25  2  0.3244  0.7649  0.2043  1
  O  O26  2  0.3498  0.3309  0.3720  1
  O  O27  2  0.3751  0.2647  0.0674  1
  O  O28  2  0.3803  0.9873  0.9218  1
  O  O29  2  0.4230  0.7239  0.4830  1
  O  O30  2  0.4290  0.9663  0.3787  1
  O  O31  2  0.4557  0.5158  0.7817  1
  O  O32  2  0.4762  0.1103  0.2047  1
  O  O33  2  0.4945  0.3638  0.9314  1
]