data_[Ca12Np9Os3N24]
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
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.7129]
_cell_length_b [6.7129]
_cell_length_c [17.0459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca4Np3OsN8]
_chemical_formula_sum '[Ca12 Np9 Os3 N24]'
_cell_volume [665.2321]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Ca  Ca1  3  -0.0000  -0.0000  0.5000  1
  Np  Np2  9  0.0000  0.5000  0.0000  1
  Os  Os3  3  -0.0000  -0.0000  0.0000  1
  N  N4  18  0.0012  0.5006  0.2609  1
  N  N5  6  0.0000  0.0000  0.2594  1
]