data_[K4Ca2Al2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5391]
_cell_length_b [9.6658]
_cell_length_c [7.7191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [K2CaAlGe2]
_chemical_formula_sum '[K4 Ca2 Al2 Ge4]'
_cell_volume [338.6678]
_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  0.1609  0.8371  1
  K  K1  2  0.5000  0.0929  0.5082  1
  Ca  Ca2  2  0.0000  0.4549  0.5059  1
  Al  Al3  2  0.5000  0.3425  0.1558  1
  Ge  Ge4  2  0.0000  0.2141  0.2417  1
  Ge  Ge5  2  0.5000  0.4051  0.7969  1
]