data_[Sr12B12N12O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6715]
_cell_length_b [7.9151]
_cell_length_c [13.5228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrBNO]
_chemical_formula_sum '[Sr12 B12 N12 O12]'
_cell_volume [631.4105]
_cell_formula_units_Z [12]
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  0.0312  0.6121  0.3871  1
  Sr  Sr1  4  0.0400  0.1355  0.3940  1
  Sr  Sr2  4  0.4341  0.6221  0.8238  1
  B  B3  4  0.2419  0.1260  0.7944  1
  B  B4  4  0.3980  0.7227  0.1054  1
  B  B5  4  0.4022  0.0321  0.1122  1
  N  N6  4  0.2711  0.6230  0.6007  1
  N  N7  4  0.3513  0.5394  0.3198  1
  N  N8  4  0.3559  0.2105  0.3261  1
  O  O9  4  0.0012  0.6274  0.7599  1
  O  O10  4  0.2686  0.5847  0.0399  1
  O  O11  4  0.2756  0.1755  0.0559  1
]