data_KGe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   5.03
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   98.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Se
_chemical_formula_sum   'K1 Ge2 Se1'
_cell_volume   112.16
_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  K2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.51  0.52  0.05  1.0
  Ge  Ge1  1  0.25  0.52  0.1  1.0
  Se  Se3  1  0.38  0.0  0.07  1.0

data_KGe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.03
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   98.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Se
_chemical_formula_sum   'K1 Ge2 Se1'
_cell_volume   112.16
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.25  0.52  0.1  1.0
  Ge  Ge2  1  0.51  0.52  0.05  1.0
  Se  Se3  1  0.38  0.0  0.07  1.0

K Ge Ge Se