data_[K2Ga2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3273]
_cell_length_b [6.1090]
_cell_length_c [7.0092]
_cell_angle_alpha [94.4358]
_cell_angle_beta [106.4518]
_cell_angle_gamma [109.1905]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KGaGe]
_chemical_formula_sum '[K2 Ga2 Ge2]'
_cell_volume [164.8299]
_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  1  0.0620  0.1346  0.1463  1
  K  K1  1  0.5182  0.7063  0.4489  1
  Ga  Ga2  1  0.3397  0.1241  0.7437  1
  Ga  Ga3  1  0.7125  0.5345  0.9740  1
  Ge  Ge4  1  0.2413  0.7163  0.8546  1
  Ge  Ge5  1  0.8696  0.3057  0.6162  1
]