data_[Nd2Np2Tl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8201]
_cell_length_b [6.2471]
_cell_length_c [6.2480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdNpTl2O6]
_chemical_formula_sum '[Nd2 Np2 Tl4 O12]'
_cell_volume [344.8127]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.5000  1
  Np  Np1  2  0.0000  0.5000  0.0000  1
  Tl  Tl2  4  0.2499  0.0000  0.2499  1
  O  O3  8  0.0042  0.2694  0.7736  1
  O  O4  4  0.2306  0.5000  0.2389  1
]