data_[K6Be3Ge3Cl18]
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
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1341]
_cell_length_b [7.1341]
_cell_length_c [22.6397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2BeGeCl6]
_chemical_formula_sum '[K6 Be3 Ge3 Cl18]'
_cell_volume [997.8746]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4807  1.0
  K  K1  3  0.0000  0.0000  0.9789  1.0
  Be  Be2  3  0.0000  0.0000  0.7400  1.0
  Ge  Ge3  3  0.0000  0.0000  0.1895  1.0
  Cl  Cl4  9  0.0279  0.6239  0.9090  1.0
  Cl  Cl5  9  0.0296  0.2840  0.7412  1.0
]