data_[Ba1Np1Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9767]
_cell_length_b [9.3253]
_cell_length_c [7.8476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNp(TlCl4)2]
_chemical_formula_sum '[Ba1 Np1 Tl2 Cl8]'
_cell_volume [423.0640]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.0000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.5000  0.2545  0.5000  1
  Cl  Cl3  4  0.0592  0.2126  0.7891  1
  Cl  Cl4  2  0.4178  0.0000  0.1934  1
  Cl  Cl5  2  0.4906  0.5000  0.2422  1
]