data_[Sr8Er4Ge4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  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 [4.3678]
_cell_length_b [18.4410]
_cell_length_c [12.5376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ErGeSe5]
_chemical_formula_sum '[Sr8 Er4 Ge4 Se20]'
_cell_volume [1009.8552]
_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  0.1180  0.6812  1.0
  Sr  Sr1  4  0.0000  0.1236  0.3203  1.0
  Er  Er2  4  0.0000  0.2089  0.0248  1.0
  Ge  Ge3  4  0.0000  0.4434  0.4438  1.0
  Se  Se4  4  0.0000  0.0476  0.0404  1.0
  Se  Se5  4  0.0000  0.2923  0.6717  1.0
  Se  Se6  4  0.0000  0.3159  0.3694  1.0
  Se  Se7  4  0.0000  0.3570  0.0034  1.0
  Se  Se8  4  0.0000  0.4995  0.7689  1.0
]