data_[Li2Np1Tl1Br8]
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
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7017]
_cell_length_b [9.5664]
_cell_length_c [6.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2NpTlBr8]
_chemical_formula_sum '[Li2 Np1 Tl1 Br8]'
_cell_volume [430.1215]
_cell_formula_units_Z [1]
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  2  0.5000  0.3389  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.2348  0.2036  0.2040  1
  Br  Br4  2  0.2356  0.0000  0.7278  1
  Br  Br5  2  0.3113  0.5000  0.6811  1
]