data_[K4Be2Sn2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.9128]
_cell_length_b [6.9128]
_cell_length_c [8.6092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [K2BeSnS4]
_chemical_formula_sum '[K4 Be2 Sn2 S8]'
_cell_volume [411.4110]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1
  K  K1  2  0.0000  0.5000  0.2500  1
  Be  Be2  2  0.0000  0.5000  0.7500  1
  Sn  Sn3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.1503  0.7341  0.8578  1
]