data_[K1Mn1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3888]
_cell_length_b [7.7977]
_cell_length_c [9.0695]
_cell_angle_alpha [97.9096]
_cell_angle_beta [93.5435]
_cell_angle_gamma [108.4772]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn(GeBr4)2]
_chemical_formula_sum '[K1 Mn1 Ge2 Br8]'
_cell_volume [421.7716]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.3000  0.6693  0.1698  1.0
  Br  Br3  2  0.0554  0.7511  0.8360  1.0
  Br  Br4  2  0.2787  0.2704  0.8360  1.0
  Br  Br5  2  0.3117  0.7023  0.4442  1.0
  Br  Br6  2  0.3193  0.0222  0.1799  1.0
]