data_KCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35
_cell_length_b   9.35
_cell_length_c   9.35
_cell_angle_alpha   17.7
_cell_angle_beta   17.7
_cell_angle_gamma   17.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCo2Ge
_chemical_formula_sum   'K1 Co2 Ge1'
_cell_volume   65.94
_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  0.99  1.0
  Co  Co0  1  0.0  0.0  0.51  1.0
  Co  Co1  1  0.0  0.0  0.64  1.0
  Ge  Ge2  1  0.0  0.0  0.25  1.0

data_KCo2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.88
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCo2Ge
_chemical_formula_sum   'K2 Co4 Ge2'
_cell_volume   131.88
_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  0.01  1.0
  Co  Co1  2  0.0  0.0  0.36  1.0
  Co  Co2  2  0.0  0.0  0.49  1.0
  Ge  Ge3  2  0.0  0.0  0.75  1.0

K Co Co Ge
K Co Co Ge 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 