data_[Sr12P4Br6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4536]
_cell_length_b [12.9182]
_cell_length_c [7.8822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6P2Br3N]
_chemical_formula_sum '[Sr12 P4 Br6 N2]'
_cell_volume [720.3932]
_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  8  0.2174  0.1519  0.1969  1
  Sr  Sr1  4  0.2386  0.0000  0.8043  1
  P  P2  4  0.0000  0.3330  0.0000  1
  Br  Br3  4  0.0000  0.1651  0.5000  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]