data_[Sr10Nb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3206]
_cell_length_b [10.9622]
_cell_length_c [6.2744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5NbN6]
_chemical_formula_sum '[Sr10 Nb2 N12]'
_cell_volume [409.7177]
_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
[
  Sr  Sr0  4  0.0000  0.1616  0.5000  1
  Sr  Sr1  4  0.0000  0.3333  0.0000  1
  Sr  Sr2  2  0.0000  0.5000  0.5000  1
  Nb  Nb3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2137  0.8595  0.2195  1
  N  N5  4  0.2089  0.0000  0.7888  1
]