data_[Ca4Np4Mo8N24]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3251]
_cell_length_b [10.0595]
_cell_length_c [5.8567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaNp(MoN3)2]
_chemical_formula_sum '[Ca4 Np4 Mo8 N24]'
_cell_volume [591.0048]
_cell_formula_units_Z [4]
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  4  0.0000  0.0882  0.7500  1
  Np  Np1  4  0.0000  0.2910  0.2500  1
  Mo  Mo2  8  0.1993  0.4108  0.7832  1
  N  N3  8  0.1155  0.2705  0.6131  1
  N  N4  8  0.1192  0.1145  0.1590  1
  N  N5  8  0.1476  0.4379  0.0805  1
]