data_[Zr4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8693]
_cell_length_b [6.9144]
_cell_length_c [8.3780]
_cell_angle_alpha [67.3700]
_cell_angle_beta [73.2542]
_cell_angle_gamma [76.4326]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrMoN3]
_chemical_formula_sum '[Zr4 Mo4 N12]'
_cell_volume [297.5574]
_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
[
  Zr  Zr0  2  0.1480  0.1810  0.1910  1
  Zr  Zr1  2  0.4087  0.6844  0.2886  1
  Mo  Mo2  2  0.0606  0.3639  0.7550  1
  Mo  Mo3  2  0.4875  0.2128  0.3994  1
  N  N4  2  0.0679  0.8629  0.2254  1
  N  N5  2  0.2256  0.7174  0.7330  1
  N  N6  2  0.2434  0.4392  0.2424  1
  N  N7  2  0.2757  0.2628  0.9177  1
  N  N8  2  0.3095  0.4042  0.5473  1
  N  N9  2  0.3866  0.9756  0.3639  1
]