data_[Mn2Cu4Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5932]
_cell_length_b [6.5045]
_cell_length_c [6.2396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MnCu2GeS4]
_chemical_formula_sum '[Mn2 Cu4 Ge2 S8]'
_cell_volume [308.1702]
_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  2  0.0000  0.8409  0.5023  1.0
  Cu  Cu1  4  0.2488  0.6752  0.0095  1.0
  Ge  Ge2  2  0.0000  0.1735  0.0020  1.0
  S  S3  4  0.2418  0.3410  0.8772  1.0
  S  S4  2  0.0000  0.1839  0.3668  1.0
  S  S5  2  0.0000  0.8427  0.8868  1.0
]