data_[Na4Mn4Ge2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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/m]
_cell_length_a [6.0163]
_cell_length_b [10.5414]
_cell_length_c [6.9933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Mn2GeS6]
_chemical_formula_sum '[Na4 Mn4 Ge2 S12]'
_cell_volume [424.9399]
_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
[
  Na  Na0  4  0.0000  0.1626  0.0000  1.0
  Mn  Mn1  4  0.0000  0.3316  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2362  0.1747  0.6919  1.0
  S  S4  4  0.2151  0.5000  0.6900  1.0
]