data_[K2Sn1Sb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1805]
_cell_length_b [8.7316]
_cell_length_c [7.4885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2SnSbBr8]
_chemical_formula_sum '[K2 Sn1 Sb1 Br8]'
_cell_volume [467.9499]
_cell_formula_units_Z [1]
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  2  0.5000  0.2489  0.5000  1.0
  Sn  Sn1  1  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2275  0.2493  0.8816  1.0
  Br  Br4  2  0.2032  0.5000  0.3261  1.0
  Br  Br5  2  0.2066  0.0000  0.3300  1.0
]