data_[Sr4Cu8Ge4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [10.8903]
_cell_length_b [10.8475]
_cell_length_c [6.6199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [SrCu2GeSe4]
_chemical_formula_sum '[Sr4 Cu8 Ge4 Se16]'
_cell_volume [782.0255]
_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
[
  Sr  Sr0  4  0.0000  0.0000  0.9874  1.0
  Cu  Cu1  8  0.1298  0.2799  0.0886  1.0
  Ge  Ge2  4  0.2500  0.1475  0.5889  1.0
  Se  Se3  8  0.0758  0.2550  0.7343  1.0
  Se  Se4  4  0.2500  0.1047  0.2311  1.0
  Se  Se5  4  0.2500  0.4474  0.2502  1.0
]