data_[Np6Ta2Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ta  1.5000  1.4500  0.8200
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0219]
_cell_length_b [6.5341]
_cell_length_c [5.5145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np3Ta(SeO3)2]
_chemical_formula_sum '[Np6 Ta2 Se4 O12]'
_cell_volume [425.6827]
_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  4  0.2500  0.2500  0.5000  1
  Np  Np1  2  0.0000  0.5000  0.0000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.2064  0.5000  0.8722  1
  O  O4  8  0.0607  0.2345  0.3010  1
  O  O5  4  0.1606  0.0000  0.6648  1
]