data_[Ce4As4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2184]
_cell_length_b [7.2249]
_cell_length_c [6.7873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeAsO4]
_chemical_formula_sum '[Ce4 As4 O16]'
_cell_volume [354.8420]
_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  0.2430  0.5000  0.8657  1.0
  Ce  Ce1  2  0.2495  0.0000  0.1289  1.0
  As  As2  2  0.2243  0.0000  0.6309  1.0
  As  As3  2  0.2588  0.5000  0.3795  1.0
  O  O4  4  0.2564  0.3213  0.2093  1.0
  O  O5  4  0.2757  0.1830  0.8547  1.0
  O  O6  2  0.0333  0.0000  0.1504  1.0
  O  O7  2  0.0756  0.5000  0.3900  1.0
  O  O8  2  0.4196  0.0000  0.6298  1.0
  O  O9  2  0.4317  0.5000  0.6970  1.0
]