data_[Zr2Mo2N6]
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 [P2_1/m]
_cell_length_a [5.3278]
_cell_length_b [3.4405]
_cell_length_c [8.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrMoN3]
_chemical_formula_sum '[Zr2 Mo2 N6]'
_cell_volume [143.9803]
_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
[
  Zr  Zr0  2  0.0252  0.2500  0.3334  1.0
  Mo  Mo1  2  0.4630  0.2500  0.8194  1.0
  N  N2  2  0.2041  0.2500  0.5981  1.0
  N  N3  2  0.2358  0.7500  0.2494  1.0
  N  N4  2  0.3383  0.7500  0.8895  1.0
]