data_[Li4Np2Sc6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Np  1.3600  1.7500  1.0000
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1980]
_cell_length_b [3.9052]
_cell_length_c [7.9519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Np(ScSe2)3]
_chemical_formula_sum '[Li4 Np2 Sc6 Se12]'
_cell_volume [516.8829]
_cell_formula_units_Z [2]
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  0.1753  0.0000  0.3544  1
  Sc  Sc1  4  0.1658  0.0000  0.8347  1
  Np  Np2  2  0.0000  0.5000  0.0000  1
  Sc  Sc3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0016  0.0000  0.2638  1
  Se  Se5  4  0.1644  0.5000  0.5914  1
  Se  Se6  4  0.1717  0.5000  0.0853  1
]