data_[Np2Pa6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3510]
_cell_length_b [4.1526]
_cell_length_c [13.5369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Np(PaTe2)3]
_chemical_formula_sum '[Np2 Pa6 Te12]'
_cell_volume [612.3772]
_cell_formula_units_Z [2]
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  2  0.0451  0.2500  0.7045  1
  Pa  Pa1  2  0.1162  0.2500  0.0658  1
  Pa  Pa2  2  0.3229  0.7500  0.4761  1
  Pa  Pa3  2  0.3687  0.2500  0.8582  1
  Te  Te4  2  0.1131  0.2500  0.4535  1
  Te  Te5  2  0.1488  0.7500  0.8972  1
  Te  Te6  2  0.2013  0.7500  0.2369  1
  Te  Te7  2  0.2453  0.7500  0.6840  1
  Te  Te8  2  0.4158  0.2500  0.0977  1
  Te  Te9  2  0.4748  0.2500  0.6324  1
]