data_[K8Sr4In4Br20]
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 [Cmc2_1]
_cell_length_a [4.5943]
_cell_length_b [19.2042]
_cell_length_c [17.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SrInBr5]
_chemical_formula_sum '[K8 Sr4 In4 Br20]'
_cell_volume [1500.0843]
_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
[
  K  K0  4  0.0000  0.0523  0.6632  1.0
  K  K1  4  0.0000  0.1520  0.2573  1.0
  Sr  Sr2  4  0.0000  0.2580  0.0312  1.0
  In  In3  4  0.0000  0.4454  0.4395  1.0
  Br  Br4  4  0.0000  0.1012  0.0619  1.0
  Br  Br5  4  0.0000  0.2345  0.6586  1.0
  Br  Br6  4  0.0000  0.2582  0.4123  1.0
  Br  Br7  4  0.0000  0.4148  0.0295  1.0
  Br  Br8  4  0.0000  0.4705  0.7705  1.0
]