data_KGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.89
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   95.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe3
_chemical_formula_sum   'K1 Ge3'
_cell_volume   101.07
_cell_formula_units_Z   1
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  K3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.44  0.44  0.35  1.0
  Ge  Ge1  1  0.23  0.0  0.29  1.0
  Ge  Ge2  1  0.02  0.44  0.22  1.0

data_KGe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.89
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   95.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe3
_chemical_formula_sum   'K1 Ge3'
_cell_volume   101.07
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.02  0.44  0.22  1.0
  Ge  Ge2  1  0.23  0.0  0.29  1.0
  Ge  Ge3  1  0.44  0.44  0.35  1.0

K Ge Ge Ge
K Ge Ge Ge 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 