data_[In2Ag4Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.8904]
_cell_length_b [7.3414]
_cell_length_c [6.9104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [InAg2GeSe4]
_chemical_formula_sum '[In2 Ag4 Ge2 Se8]'
_cell_volume [451.0241]
_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
[
  In  In0  2  0.0000  0.8380  0.4912  1.0
  Ag  Ag1  4  0.2500  0.3189  0.5047  1.0
  Ge  Ge2  2  0.0000  0.1739  0.9873  1.0
  Se  Se3  4  0.2470  0.3269  0.8903  1.0
  Se  Se4  2  0.0000  0.1734  0.3514  1.0
  Se  Se5  2  0.0000  0.8506  0.8799  1.0
]