data_K2ZrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.92
_cell_length_b   12.92
_cell_length_c   12.92
_cell_angle_alpha   14.52
_cell_angle_beta   14.52
_cell_angle_gamma   14.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrGe
_chemical_formula_sum   'K2 Zr1 Ge1'
_cell_volume   118.07
_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  K1  1  0.0  0.0  0.44  1.0
  K  K2  1  0.0  0.0  0.9  1.0
  Zr  Zr3  1  0.0  0.0  0.17  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_K2ZrGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.66
_cell_length_b   3.27
_cell_length_c   12.92
_cell_angle_alpha   90.0
_cell_angle_beta   98.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2ZrGe
_chemical_formula_sum   'K4 Zr2 Ge2'
_cell_volume   236.13
_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  0.56  1.0
  K  K1  2  0.0  0.0  0.1  1.0
  Zr  Zr2  2  0.0  0.0  0.83  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

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