data_[Sr8Nd4Ge4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  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 [4.4182]
_cell_length_b [18.8028]
_cell_length_c [12.5100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NdGeSe5]
_chemical_formula_sum '[Sr8 Nd4 Ge4 Se20]'
_cell_volume [1039.2600]
_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  0.1155  0.6822  1.0
  Sr  Sr1  4  0.0000  0.1189  0.3226  1.0
  Nd  Nd2  4  0.0000  0.2092  0.0244  1.0
  Ge  Ge3  4  0.0000  0.4453  0.4427  1.0
  Se  Se4  4  0.0000  0.0438  0.0365  1.0
  Se  Se5  4  0.0000  0.2930  0.6801  1.0
  Se  Se6  4  0.0000  0.3210  0.3633  1.0
  Se  Se7  4  0.0000  0.3604  0.0047  1.0
  Se  Se8  4  0.0000  0.4989  0.7674  1.0
]