data_[K1Ge1Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7235]
_cell_length_b [5.9299]
_cell_length_c [6.0374]
_cell_angle_alpha [78.3118]
_cell_angle_beta [86.3288]
_cell_angle_gamma [88.2423]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KGeBr3]
_chemical_formula_sum '[K1 Ge1 Br3]'
_cell_volume [200.2120]
_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  0.6362  0.4320  0.7582  1.0
  Ge  Ge1  1  0.1482  0.8631  0.1278  1.0
  Br  Br2  1  0.1156  0.2993  0.0941  1.0
  Br  Br3  1  0.1353  0.7579  0.5552  1.0
  Br  Br4  1  0.6019  0.8547  0.0576  1.0
]