data_[Li4Nd8Er4Se20]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1308]
_cell_length_b [17.2583]
_cell_length_c [12.4265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiNd2ErSe5]
_chemical_formula_sum '[Li4 Nd8 Er4 Se20]'
_cell_volume [885.8978]
_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  0.4858  0.4812  1.0
  Nd  Nd1  4  0.0000  0.1073  0.6856  1.0
  Nd  Nd2  4  0.0000  0.1258  0.2967  1.0
  Er  Er3  4  0.0000  0.1970  0.0029  1.0
  Se  Se4  4  0.0000  0.0478  0.0711  1.0
  Se  Se5  4  0.0000  0.2849  0.6600  1.0
  Se  Se6  4  0.0000  0.3076  0.3449  1.0
  Se  Se7  4  0.0000  0.3616  0.9977  1.0
  Se  Se8  4  0.0000  0.4998  0.2839  1.0
]