data_[Na4Sr4In8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5815]
_cell_length_b [19.2042]
_cell_length_c [15.0245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaSrIn2Br5]
_chemical_formula_sum '[Na4 Sr4 In8 Br20]'
_cell_volume [1321.9276]
_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
[
  Na  Na0  4  0.0000  0.4623  0.4563  1.0
  Sr  Sr1  4  0.0000  0.2249  0.0207  1.0
  In  In2  4  0.0000  0.0913  0.6650  1.0
  In  In3  4  0.0000  0.1222  0.2776  1.0
  Br  Br4  4  0.0000  0.0673  0.0665  1.0
  Br  Br5  4  0.0000  0.2664  0.6608  1.0
  Br  Br6  4  0.0000  0.3086  0.3926  1.0
  Br  Br7  4  0.0000  0.3835  0.0094  1.0
  Br  Br8  4  0.0000  0.4919  0.7750  1.0
]