data_KGe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   141.42
_cell_angle_beta   113.04
_cell_angle_gamma   80.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Br
_chemical_formula_sum   'K1 Ge2 Br1'
_cell_volume   131.41
_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  K3  1  0.0  0.0  0.72  1.0
  Ge  Ge1  1  0.0  0.0  0.02  1.0
  Ge  Ge2  1  0.0  0.41  1.0  1.0
  Br  Br0  1  0.04  0.0  0.18  1.0

data_KGe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   66.96
_cell_angle_beta   70.71
_cell_angle_gamma   70.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Br
_chemical_formula_sum   'K1 Ge2 Br1'
_cell_volume   131.41
_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  0.72  -0.0  0.28  1.0
  Ge  Ge1  1  0.02  0.0  0.98  1.0
  Ge  Ge2  1  1.0  0.0  0.41  1.0
  Br  Br3  1  0.14  0.04  0.82  1.0

K Ge Ge Br