data_[Cs8Cu4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3964]
_cell_length_b [21.0365]
_cell_length_c [14.7696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CuSnBr5]
_chemical_formula_sum '[Cs8 Cu4 Sn4 Br20]'
_cell_volume [1365.9659]
_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  0.0000  0.1163  0.6933  1.0
  Cs  Cs1  4  0.0000  0.1259  0.3120  1.0
  Cu  Cu2  4  0.0000  0.4661  0.4598  1.0
  Sn  Sn3  4  0.0000  0.2023  0.0068  1.0
  Br  Br4  4  0.0000  0.0434  0.0319  1.0
  Br  Br5  4  0.0000  0.2927  0.6467  1.0
  Br  Br6  4  0.0000  0.2993  0.3663  1.0
  Br  Br7  4  0.0000  0.3354  0.0041  1.0
  Br  Br8  4  0.0000  0.4940  0.3031  1.0
]