data_[Co4Ag4Ge4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  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 [Cmcm]
_cell_length_a [3.6045]
_cell_length_b [14.7952]
_cell_length_c [9.5847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CoAgGeSe3]
_chemical_formula_sum '[Co4 Ag4 Ge4 Se12]'
_cell_volume [511.1454]
_cell_formula_units_Z [4]
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
[
  Co  Co0  4  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.2999  0.7500  1
  Ge  Ge2  4  0.0000  0.3406  0.2500  1
  Se  Se3  8  0.0000  0.3938  0.5198  1
  Se  Se4  4  0.0000  0.0374  0.7500  1
]