data_[Sr6Nb6N10]
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 [P-1]
_cell_length_a [6.1952]
_cell_length_b [8.0491]
_cell_length_c [8.2258]
_cell_angle_alpha [107.6004]
_cell_angle_beta [102.0117]
_cell_angle_gamma [102.1336]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr3Nb3N5]
_chemical_formula_sum '[Sr6 Nb6 N10]'
_cell_volume [365.6432]
_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  2  0.2528  0.5660  0.4241  1
  Sr  Sr1  2  0.3125  0.3301  0.7728  1
  Sr  Sr2  2  0.3619  0.1730  0.1228  1
  Nb  Nb3  2  0.0958  0.8722  0.7004  1
  Nb  Nb4  2  0.0967  0.6833  0.0008  1
  Nb  Nb5  2  0.2766  0.9916  0.4031  1
  N  N6  2  0.0003  0.9004  0.1588  1
  N  N7  2  0.1761  0.6582  0.7685  1
  N  N8  2  0.2290  0.4914  0.0891  1
  N  N9  2  0.2645  0.2539  0.4368  1
  N  N10  2  0.4033  0.9656  0.6508  1
]