data_K2GeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeBr
_chemical_formula_sum   'K2 Ge1 Br1'
_cell_volume   155.29
_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  K2  1  0.77  0.0  0.88  1.0
  K  K3  1  0.0  0.0  0.44  1.0
  Ge  Ge1  1  0.0  0.0  0.79  1.0
  Br  Br0  1  0.77  0.0  0.9  1.0

data_K2GeBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2GeBr
_chemical_formula_sum   'K2 Ge1 Br1'
_cell_volume   155.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.44  1.0
  K  K1  1  0.77  0.0  0.88  1.0
  Ge  Ge2  1  0.0  0.0  0.79  1.0
  Br  Br3  1  0.77  0.0  0.9  1.0

K K Ge Br