data_[Na4Sr4In4Br16]
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 [Imma]
_cell_length_a [9.1873]
_cell_length_b [9.2926]
_cell_length_c [13.1176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaSrInBr4]
_chemical_formula_sum '[Na4 Sr4 In4 Br16]'
_cell_volume [1119.8937]
_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  0.2500  0.2500  0.2500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0000  0.2500  0.8617  1.0
  Br  Br3  8  0.0000  0.0337  0.2679  1.0
  Br  Br4  8  0.2218  0.2500  0.4888  1.0
]