data_[Np1Tl2In1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0168]
_cell_length_b [8.7362]
_cell_length_c [7.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NpTl2InBr8]
_chemical_formula_sum '[Np1 Tl2 In1 Br8]'
_cell_volume [463.2570]
_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
[
  Np  Np0  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.5000  0.2416  0.5000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.2279  0.2461  0.8749  1
  Br  Br4  2  0.1993  0.0000  0.3012  1
  Br  Br5  2  0.2233  0.5000  0.3207  1
]