data_[K16Mn8Ge8S32]
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 [Fddd]
_cell_length_a [5.8575]
_cell_length_b [13.3692]
_cell_length_c [23.4420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [K2MnGeS4]
_chemical_formula_sum '[K16 Mn8 Ge8 S32]'
_cell_volume [1835.7367]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.1816  1
  Mn  Mn1  8  0.0000  0.0000  0.0000  1
  Ge  Ge2  8  0.0000  0.0000  0.5000  1
  S  S3  32  0.0207  0.1515  0.6977  1
]