data_[Li4Nd8Sn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1192]
_cell_length_b [17.5540]
_cell_length_c [12.3461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2SnSe5]
_chemical_formula_sum '[Li4 Nd8 Sn4 Se20]'
_cell_volume [892.7312]
_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
[
  Li  Li0  4  0.0000  0.4910  0.4882  1.0
  Nd  Nd1  4  0.0000  0.1115  0.6839  1.0
  Nd  Nd2  4  0.0000  0.1188  0.2983  1.0
  Sn  Sn3  4  0.0000  0.1929  0.9997  1.0
  Se  Se4  4  0.0000  0.0464  0.0741  1.0
  Se  Se5  4  0.0000  0.2850  0.6623  1.0
  Se  Se6  4  0.0000  0.2962  0.3321  1.0
  Se  Se7  4  0.0000  0.3596  0.9965  1.0
  Se  Se8  4  0.0000  0.4927  0.2889  1.0
]