data_[K2Be2Sb2Se6]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3843]
_cell_length_b [3.9846]
_cell_length_c [9.6811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KBeSbSe3]
_chemical_formula_sum '[K2 Be2 Sb2 Se6]'
_cell_volume [350.7800]
_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  0.2158  0.2500  0.1699  1.0
  Be  Be1  2  0.4077  0.7500  0.9218  1.0
  Sb  Sb2  2  0.1478  0.2500  0.6527  1.0
  Se  Se3  2  0.1419  0.7500  0.4234  1.0
  Se  Se4  2  0.1586  0.7500  0.8632  1.0
  Se  Se5  2  0.4951  0.2500  0.8406  1.0
]