data_[Sr12Bi4P2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7582]
_cell_length_b [7.7869]
_cell_length_c [13.4837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Bi2PN]
_chemical_formula_sum '[Sr12 Bi4 P2 N2]'
_cell_volume [666.8625]
_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  0.1701  0.7237  0.4732  1.0
  Sr  Sr1  4  0.2475  0.1980  0.4721  1.0
  Sr  Sr2  4  0.2889  0.5094  0.2366  1.0
  Bi  Bi3  4  0.2448  0.5288  0.7499  1.0
  P  P4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]