data_[Sr3In6Sn3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1094]
_cell_length_b [8.1094]
_cell_length_c [20.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrIn2SnBr6]
_chemical_formula_sum '[Sr3 In6 Sn3 Br18]'
_cell_volume [1177.3783]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.1819  1
  In  In1  3  0.0000  0.0000  0.4745  1
  In  In2  3  0.0000  0.0000  0.9744  1
  Sn  Sn3  3  0.0000  0.0000  0.6809  1
  Br  Br4  9  0.0659  0.3498  0.7538  1
  Br  Br5  9  0.0735  0.7157  0.2550  1
]