data_[Ce4P4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1262]
_cell_length_b [6.9641]
_cell_length_c [6.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePBrO4]
_chemical_formula_sum '[Ce4 P4 Br4 O16]'
_cell_volume [451.0859]
_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  0.2495  0.5000  0.8450  1.0
  P  P1  4  0.1354  0.5000  0.2632  1.0
  Br  Br2  4  0.0189  0.0000  0.7563  1.0
  O  O3  8  0.1860  0.3251  0.1507  1.0
  O  O4  4  0.0194  0.5000  0.7707  1.0
  O  O5  4  0.2049  0.5000  0.4976  1.0
]