data_[Ca2Np2Zn2N6]
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
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0657]
_cell_length_b [3.5436]
_cell_length_c [8.4334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaNpZnN3]
_chemical_formula_sum '[Ca2 Np2 Zn2 N6]'
_cell_volume [177.0195]
_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
[
  Ca  Ca0  2  0.3626  0.7500  0.3125  1
  Np  Np1  2  0.1327  0.7500  0.6702  1
  Zn  Zn2  2  0.3196  0.2500  0.9577  1
  N  N3  2  0.0367  0.2500  0.7938  1
  N  N4  2  0.2142  0.2500  0.5086  1
  N  N5  2  0.4706  0.7500  0.8291  1
]