data_[Sr6Mo6N12O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [6.3149]
_cell_length_b [6.3149]
_cell_length_c [12.8014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [SrMoN2O]
_chemical_formula_sum '[Sr6 Mo6 N12 O6]'
_cell_volume [442.1014]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  4  0.3333  0.6667  0.2333  1
  Sr  Sr1  2  0.0000  0.0000  0.2800  1
  Mo  Mo2  6  0.0000  0.3346  0.0015  1
  N  N3  6  0.0000  0.2987  0.1452  1
  N  N4  6  0.0000  0.3669  0.8583  1
  O  O5  4  0.3333  0.6667  0.0152  1
  O  O6  2  0.0000  0.0000  0.4818  1
]