data_[Mg2Cu4Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [Cm]
_cell_length_a [7.7279]
_cell_length_b [7.7278]
_cell_length_c [6.5256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCu2GeS4]
_chemical_formula_sum '[Mg2 Cu4 Ge2 S8]'
_cell_volume [314.3487]
_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
[
  Mg  Mg0  2  0.4843  0.5000  0.0294  1.0
  Cu  Cu1  4  0.4923  0.2525  0.5287  1.0
  Ge  Ge2  2  0.4877  0.0000  0.0281  1.0
  S  S3  4  0.1217  0.2661  0.2896  1.0
  S  S4  2  0.0889  0.5000  0.7639  1.0
  S  S5  2  0.1236  0.0000  0.7712  1.0
]