data_[K4Be4Sn4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5055]
_cell_length_b [12.3482]
_cell_length_c [10.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBeSnBr5]
_chemical_formula_sum '[K4 Be4 Sn4 Br20]'
_cell_volume [1115.0271]
_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  0.3569  0.7500  1.0
  Be  Be1  4  0.0000  0.3140  0.2500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1212  0.2154  0.1514  1.0
  Br  Br4  8  0.1650  0.4191  0.4203  1.0
  Br  Br5  4  0.0000  0.0978  0.7500  1.0
]