data_K2GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.41
_cell_angle_alpha   105.74
_cell_angle_beta   105.74
_cell_angle_gamma   55.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeSe
_chemical_formula_sum   'K2 Ge1 Se1'
_cell_volume   133.6
_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  0.52  0.0  0.91  1.0
  K  K2  1  0.97  0.0  0.47  1.0
  Ge  Ge0  1  0.44  0.0  0.59  1.0
  Se  Se3  1  0.77  0.0  0.91  1.0

data_K2GeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.41
_cell_length_c   5.6
_cell_angle_alpha   105.74
_cell_angle_beta   117.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeSe
_chemical_formula_sum   'K2 Ge1 Se1'
_cell_volume   133.6
_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  0.47  0.97  1.0
  K  K1  1  0.0  0.91  0.52  1.0
  Ge  Ge2  1  0.0  0.59  0.44  1.0
  Se  Se3  1  0.0  0.91  0.77  1.0

K K Ge Se