data_[K2Mn2Ge2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0528]
_cell_length_b [3.7217]
_cell_length_c [10.0777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnGeS3]
_chemical_formula_sum '[K2 Mn2 Ge2 S6]'
_cell_volume [283.2846]
_cell_formula_units_Z [2]
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  2  0.2158  0.7500  0.7504  1
  Mn  Mn1  2  0.3710  0.2500  0.3538  1
  Ge  Ge2  2  0.1362  0.7500  0.0692  1
  S  S3  2  0.1326  0.7500  0.2957  1
  S  S4  2  0.3505  0.2500  0.1094  1
  S  S5  2  0.4127  0.2500  0.5946  1
]