data_[Tb2Np1Ni1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4370]
_cell_length_b [5.1392]
_cell_length_c [7.1828]
_cell_angle_alpha [83.0624]
_cell_angle_beta [87.5411]
_cell_angle_gamma [83.9388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb2NpNiO8]
_chemical_formula_sum '[Tb2 Np1 Ni1 O8]'
_cell_volume [161.6049]
_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
[
  Tb  Tb0  2  0.4172  0.4842  0.2642  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Ni  Ni2  1  0.0000  0.0000  0.5000  1
  O  O3  2  0.1143  0.2931  0.8212  1
  O  O4  2  0.1356  0.1369  0.2593  1
  O  O5  2  0.2940  0.7220  0.5038  1
  O  O6  2  0.3783  0.7628  0.9780  1
]