data_[Mn4Ag4Ge2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  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 [6.0332]
_cell_length_b [10.4047]
_cell_length_c [7.5619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Ag2GeS6]
_chemical_formula_sum '[Mn4 Ag4 Ge2 S12]'
_cell_volume [457.8318]
_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
[
  Mn  Mn0  4  0.0000  0.3396  0.5000  1.0
  Ag  Ag1  4  0.0000  0.1754  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.1195  0.1762  0.3269  1.0
  S  S4  4  0.0966  0.5000  0.3253  1.0
]