data_[Sr8Nd4Ge4S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2659]
_cell_length_b [17.8286]
_cell_length_c [12.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2NdGeS5]
_chemical_formula_sum '[Sr8 Nd4 Ge4 S20]'
_cell_volume [921.2101]
_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  0.1151  0.6836  1.0
  Sr  Sr1  4  0.0000  0.1200  0.3303  1.0
  Nd  Nd2  4  0.0000  0.2060  0.0279  1.0
  Ge  Ge3  4  0.0000  0.4492  0.4385  1.0
  S  S4  4  0.0000  0.0382  0.0192  1.0
  S  S5  4  0.0000  0.2960  0.6798  1.0
  S  S6  4  0.0000  0.3235  0.3681  1.0
  S  S7  4  0.0000  0.3577  0.0083  1.0
  S  S8  4  0.0000  0.4975  0.7683  1.0
]