data_[K4Ga4Ge4]
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 [C2/m]
_cell_length_a [11.6579]
_cell_length_b [4.2259]
_cell_length_c [7.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KGaGe]
_chemical_formula_sum '[K4 Ga4 Ge4]'
_cell_volume [347.7148]
_cell_formula_units_Z [4]
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  4  0.1155  0.0000  0.3278  1.0
  Ga  Ga1  4  0.0979  0.5000  0.9435  1.0
  Ge  Ge2  4  0.1933  0.0000  0.8352  1.0
]