data_[Y4Mo4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [3.7576]
_cell_length_b [14.6048]
_cell_length_c [5.4526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [YMoN3]
_chemical_formula_sum '[Y4 Mo4 N12]'
_cell_volume [299.2343]
_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
[
  Y  Y0  4  0.2500  0.1675  0.2362  1.0
  Mo  Mo1  4  0.2500  0.4112  0.2870  1.0
  N  N2  4  0.2500  0.0545  0.8868  1.0
  N  N3  4  0.2500  0.3022  0.4657  1.0
  N  N4  4  0.2500  0.3851  0.9644  1.0
]