data_[Ca2Np1Sb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Np  1.3600  1.7500  1.0000
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.0520]
_cell_length_b [6.0520]
_cell_length_c [4.5292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ca2NpSbO6]
_chemical_formula_sum '[Ca2 Np1 Sb1 O6]'
_cell_volume [165.8895]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.9971  1
  Np  Np1  1  0.0000  0.0000  0.6575  1
  Sb  Sb2  1  0.5000  0.5000  0.6477  1
  O  O3  4  0.2427  0.2427  0.7218  1
  O  O4  1  0.0000  0.0000  0.1699  1
  O  O5  1  0.5000  0.5000  0.0902  1
]