data_[Li4Tm4Np8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0464]
_cell_length_b [17.0954]
_cell_length_c [12.2939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTmNp2Se5]
_chemical_formula_sum '[Li4 Tm4 Np8 Se20]'
_cell_volume [850.4243]
_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  0.4851  0.4790  1
  Tm  Tm1  4  0.0000  0.1989  0.0026  1
  Np  Np2  4  0.0000  0.1065  0.6825  1
  Np  Np3  4  0.0000  0.1277  0.2959  1
  Se  Se4  4  0.0000  0.0483  0.0740  1
  Se  Se5  4  0.0000  0.2846  0.6642  1
  Se  Se6  4  0.0000  0.3109  0.3448  1
  Se  Se7  4  0.0000  0.3627  0.9986  1
  Se  Se8  4  0.0000  0.4980  0.7824  1
]