data_[K4Mn2Ge2S8]
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 [C2]
_cell_length_a [9.8916]
_cell_length_b [8.5727]
_cell_length_c [7.0533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [K2MnGeS4]
_chemical_formula_sum '[K4 Mn2 Ge2 S8]'
_cell_volume [427.2898]
_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  0.0000  0.2322  0.5000  1.0
  K  K1  2  0.0000  0.9736  0.0000  1.0
  Mn  Mn2  2  0.0000  0.4851  0.0000  1.0
  Ge  Ge3  2  0.0000  0.7376  0.5000  1.0
  S  S4  4  0.1492  0.6021  0.8761  1.0
  S  S5  4  0.2282  0.8770  0.5787  1.0
]