data_[Y8Mo8N24]
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 [C2/c]
_cell_length_a [11.1571]
_cell_length_b [9.6101]
_cell_length_c [6.2999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YMoN3]
_chemical_formula_sum '[Y8 Mo8 N24]'
_cell_volume [625.3902]
_cell_formula_units_Z [8]
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  0.0000  0.0879  0.2500  1.0
  Y  Y1  4  0.0000  0.2932  0.7500  1.0
  Mo  Mo2  8  0.2098  0.4101  0.2261  1.0
  N  N3  8  0.1101  0.1095  0.6545  1.0
  N  N4  8  0.1312  0.2451  0.1613  1.0
  N  N5  8  0.1446  0.4894  0.9302  1.0
]