data_[Er2Ag4Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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]
_cell_length_a [7.5652]
_cell_length_b [7.6264]
_cell_length_c [6.8234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ErAg2GeS4]
_chemical_formula_sum '[Er2 Ag4 Ge2 S8]'
_cell_volume [330.0853]
_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
[
  Er  Er0  2  0.0000  0.8825  0.0000  1.0
  Ag  Ag1  2  0.0000  0.3669  0.0000  1.0
  Ag  Ag2  2  0.0000  0.6237  0.5000  1.0
  Ge  Ge3  2  0.0000  0.0976  0.5000  1.0
  S  S4  4  0.2314  0.8877  0.4805  1.0
  S  S5  4  0.2365  0.1241  0.9621  1.0
]