data_[Ba1Ce1Ag2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9072]
_cell_length_b [7.4209]
_cell_length_c [9.3566]
_cell_angle_alpha [108.7822]
_cell_angle_beta [90.0884]
_cell_angle_gamma [100.2442]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCe(AgBr4)2]
_chemical_formula_sum '[Ba1 Ce1 Ag2 Br8]'
_cell_volume [445.9289]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4889  0.6623  0.6874  1.0
  Br  Br3  2  0.1056  0.7545  0.7199  1.0
  Br  Br4  2  0.1294  0.7869  0.1636  1.0
  Br  Br5  2  0.3659  0.2388  0.0352  1.0
  Br  Br6  2  0.4290  0.2651  0.5671  1.0
]