data_[Sr8Dy4Ge4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Dy  1.2200  1.7500  1.1310
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3632]
_cell_length_b [18.4903]
_cell_length_c [12.5294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2DyGeSe5]
_chemical_formula_sum '[Sr8 Dy4 Ge4 Se20]'
_cell_volume [1010.8268]
_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  0.1175  0.6816  1.0
  Sr  Sr1  4  0.0000  0.1228  0.3206  1.0
  Dy  Dy2  4  0.0000  0.2089  0.0246  1.0
  Ge  Ge3  4  0.0000  0.4439  0.4435  1.0
  Se  Se4  4  0.0000  0.0467  0.0404  1.0
  Se  Se5  4  0.0000  0.2923  0.6732  1.0
  Se  Se6  4  0.0000  0.3168  0.3681  1.0
  Se  Se7  4  0.0000  0.3576  0.0036  1.0
  Se  Se8  4  0.0000  0.4993  0.7685  1.0
]