data_[Sr1Np1Tl2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6549]
_cell_length_b [9.6032]
_cell_length_c [8.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrNp(TlI4)2]
_chemical_formula_sum '[Sr1 Np1 Tl2 I8]'
_cell_volume [596.4817]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.5000  0.2528  0.5000  1
  I  I3  4  0.2349  0.2278  0.8674  1
  I  I4  2  0.2025  0.0000  0.3166  1
  I  I5  2  0.2449  0.5000  0.3337  1
]