data_[Mg2Ag4Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [Pmn2_1]
_cell_length_a [7.7838]
_cell_length_b [7.1107]
_cell_length_c [6.6347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MgAg2GeS4]
_chemical_formula_sum '[Mg2 Ag4 Ge2 S8]'
_cell_volume [367.2150]
_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  0.0000  0.8531  0.4906  1.0
  Ag  Ag1  4  0.2432  0.6751  0.0122  1.0
  Ge  Ge2  2  0.0000  0.1699  0.9965  1.0
  S  S3  4  0.2366  0.3291  0.8940  1.0
  S  S4  2  0.0000  0.1656  0.3353  1.0
  S  S5  2  0.0000  0.8791  0.8652  1.0
]