data_K2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   9.49
_cell_angle_alpha   103.85
_cell_angle_beta   103.85
_cell_angle_gamma   64.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeP
_chemical_formula_sum   'K2 Ge1 P1'
_cell_volume   133.29
_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  0.96  0.0  0.77  1.0
  K  K2  1  0.78  0.0  1.0  1.0
  Ge  Ge0  1  0.38  0.0  0.98  1.0
  P  P3  1  0.06  0.0  0.91  1.0

data_K2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   9.38
_cell_angle_alpha   93.35
_cell_angle_beta   100.77
_cell_angle_gamma   115.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeP
_chemical_formula_sum   'K2 Ge1 P1'
_cell_volume   133.29
_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  0.18  0.0  0.23  1.0
  K  K1  1  0.78  0.0  0.0  1.0
  Ge  Ge2  1  0.4  0.0  0.02  1.0
  P  P3  1  0.15  0.0  0.09  1.0

K K Ge P
K K Ge P 0 3 + o o 1 2 o o o 1 3 + o o 2 3 o o o 