data_[K3Sr6In3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [R3]
_cell_length_a [8.1379]
_cell_length_b [8.1379]
_cell_length_c [20.9123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KSr2InBr6]
_chemical_formula_sum '[K3 Sr6 In3 Br18]'
_cell_volume [1199.3778]
_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
[
  K  K0  3  0.0000  0.0000  0.6960  1
  Sr  Sr1  3  0.0000  0.0000  0.4860  1
  Sr  Sr2  3  0.0000  0.0000  0.9855  1
  In  In3  3  0.0000  0.0000  0.1932  1
  Br  Br4  9  0.0180  0.6194  0.2457  1
  Br  Br5  9  0.0207  0.3962  0.7469  1
]