data_[Mg3Zr12U3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.5965]
_cell_length_b [6.5965]
_cell_length_c [15.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgZr4UN8]
_chemical_formula_sum '[Mg3 Zr12 U3 N24]'
_cell_volume [579.6756]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.9996  1
  Zr  Zr1  9  0.1668  0.8332  0.8382  1
  Zr  Zr2  3  0.0000  0.0000  0.6256  1
  U  U3  3  0.0000  0.0000  0.3986  1
  N  N4  9  0.0227  0.5113  0.7475  1
  N  N5  9  0.1684  0.3369  0.5711  1
  N  N6  3  0.0000  0.0000  0.2461  1
  N  N7  3  0.0000  0.0000  0.7597  1
]