data_[In8Ag4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  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 [4.4406]
_cell_length_b [19.3724]
_cell_length_c [14.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In2AgSnBr5]
_chemical_formula_sum '[In8 Ag4 Sn4 Br20]'
_cell_volume [1235.4053]
_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
[
  In  In0  4  0.0000  0.0916  0.6703  1.0
  In  In1  4  0.0000  0.1297  0.3161  1.0
  Ag  Ag2  4  0.0000  0.4477  0.4384  1.0
  Sn  Sn3  4  0.0000  0.2108  0.0268  1.0
  Br  Br4  4  0.0000  0.0465  0.0467  1.0
  Br  Br5  4  0.0000  0.2822  0.6704  1.0
  Br  Br6  4  0.0000  0.3041  0.3828  1.0
  Br  Br7  4  0.0000  0.3590  0.0008  1.0
  Br  Br8  4  0.0000  0.4926  0.7717  1.0
]