data_[Cs1Sr2Ce1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1138]
_cell_length_b [9.7410]
_cell_length_c [7.3258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsSr2CeBr8]
_chemical_formula_sum '[Cs1 Sr2 Ce1 Br8]'
_cell_volume [507.6381]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2512  0.5000  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2453  0.2068  0.1609  1.0
  Br  Br4  2  0.2585  0.0000  0.6722  1.0
  Br  Br5  2  0.2661  0.5000  0.6053  1.0
]