data_KGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   24.57
_cell_angle_beta   24.57
_cell_angle_gamma   24.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeSb2
_chemical_formula_sum   'K1 Ge1 Sb2'
_cell_volume   125.64
_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  K1  1  0.0  0.0  0.66  1.0
  Ge  Ge0  1  0.0  0.0  0.14  1.0
  Sb  Sb2  1  0.0  0.0  0.88  1.0
  Sb  Sb3  1  0.0  0.0  0.54  1.0

data_KGeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   3.99
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KGeSb2
_chemical_formula_sum   'K2 Ge2 Sb4'
_cell_volume   251.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.34  1.0
  Ge  Ge1  2  0.0  0.0  0.86  1.0
  Sb  Sb2  2  0.0  0.0  0.12  1.0
  Sb  Sb3  2  0.0  0.0  0.46  1.0

K Ge Sb Sb
K Ge Sb Sb 0 3 o o o 0 2 o o o 1 2 o o - 