data_[Np4Tl12Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4515]
_cell_length_b [12.3341]
_cell_length_c [10.2218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np(TlTe)3]
_chemical_formula_sum '[Np4 Tl12 Te12]'
_cell_volume [1035.0682]
_cell_formula_units_Z [4]
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  4  0.1125  0.0000  0.1259  1
  Tl  Tl1  4  0.0000  0.1490  0.5000  1
  Tl  Tl2  4  0.0000  0.2899  0.0000  1
  Tl  Tl3  4  0.0996  0.5000  0.3820  1
  Te  Te4  8  0.2023  0.3255  0.7108  1
  Te  Te5  4  0.2489  0.5000  0.1194  1
]