data_[Nd8Ag4Ge4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  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 [4.2683]
_cell_length_b [18.0255]
_cell_length_c [11.7284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2AgGeSe5]
_chemical_formula_sum '[Nd8 Ag4 Ge4 Se20]'
_cell_volume [902.3717]
_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
[
  Nd  Nd0  4  0.0000  0.1188  0.6810  1.0
  Nd  Nd1  4  0.0000  0.1277  0.3001  1.0
  Ag  Ag2  4  0.0000  0.2227  0.0259  1.0
  Ge  Ge3  4  0.0000  0.4296  0.4607  1.0
  Se  Se4  4  0.0000  0.0424  0.0651  1.0
  Se  Se5  4  0.0000  0.2907  0.6759  1.0
  Se  Se6  4  0.0000  0.3138  0.3458  1.0
  Se  Se7  4  0.0000  0.3684  0.9948  1.0
  Se  Se8  4  0.0000  0.4974  0.2746  1.0
]