data_[Sr8Ge2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.8205]
_cell_length_b [9.8205]
_cell_length_c [6.2704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Sr4GeSe5]
_chemical_formula_sum '[Sr8 Ge2 Se10]'
_cell_volume [604.7307]
_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
[
  Sr  Sr0  8  0.1001  0.3000  0.5017  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0413  1.0
  Se  Se2  8  0.0966  0.2911  0.0031  1.0
  Se  Se3  2  0.0000  0.0000  0.4498  1.0
]