data_[Sr12Sn4N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2855]
_cell_length_b [5.2855]
_cell_length_c [21.2269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sr12Sn4N3]
_chemical_formula_sum '[Sr12 Sn4 N3]'
_cell_volume [593.0045]
_cell_formula_units_Z [1]
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  0.5000  0.2550  1.0
  Sr  Sr1  2  0.0000  0.5000  0.0000  1.0
  Sr  Sr2  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr3  2  0.5000  0.5000  0.1363  1.0
  Sr  Sr4  2  0.5000  0.5000  0.3781  1.0
  Sn  Sn5  2  0.0000  0.0000  0.1164  1.0
  Sn  Sn6  2  0.0000  0.0000  0.3753  1.0
  N  N7  2  0.5000  0.5000  0.2493  1.0
  N  N8  1  0.5000  0.5000  0.5000  1.0
]