data_[Ac2Ce1Br1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1687]
_cell_length_b [4.1687]
_cell_length_c [9.7425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac2CeBrO4]
_chemical_formula_sum '[Ac2 Ce1 Br1 O4]'
_cell_volume [169.3043]
_cell_formula_units_Z [1]
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
[
  Ac  Ac0  2  0.5000  0.5000  0.2641  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Br  Br2  1  0.0000  0.0000  0.5000  1
  O  O3  4  0.0000  0.5000  0.1467  1
]