data_[Cs8Y12Br40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [26.3572]
_cell_length_b [8.0423]
_cell_length_c [11.4606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Y3Br10]
_chemical_formula_sum '[Cs8 Y12 Br40]'
_cell_volume [2265.7409]
_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
[
  Cs  Cs0  4  0.1212  0.5000  0.7381  1
  Cs  Cs1  4  0.2245  0.5000  0.3231  1
  Y  Y2  4  0.0000  0.2243  0.0000  1
  Y  Y3  4  0.0795  0.0000  0.4822  1
  Y  Y4  4  0.1759  0.0000  0.0262  1
  Br  Br5  8  0.1131  0.2750  0.0356  1
  Br  Br6  8  0.1479  0.2513  0.4844  1
  Br  Br7  4  0.0000  0.2358  0.5000  1
  Br  Br8  4  0.0166  0.5000  0.1757  1
  Br  Br9  4  0.0260  0.0000  0.2148  1
  Br  Br10  4  0.1268  0.0000  0.7549  1
  Br  Br11  4  0.2302  0.0000  0.2755  1
  Br  Br12  4  0.2500  0.2500  0.0000  1
]