data_[Sr6Sn2N2]
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 [P-1]
_cell_length_a [6.8272]
_cell_length_b [7.0830]
_cell_length_c [7.6663]
_cell_angle_alpha [81.5936]
_cell_angle_beta [77.8965]
_cell_angle_gamma [63.6602]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr3SnN]
_chemical_formula_sum '[Sr6 Sn2 N2]'
_cell_volume [324.2477]
_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  0.0258  0.7584  0.3586  1.0
  Sr  Sr1  2  0.1741  0.2460  0.0444  1.0
  Sr  Sr2  2  0.4369  0.6196  0.7940  1.0
  Sn  Sn3  2  0.4724  0.8799  0.3648  1.0
  N  N4  2  0.1953  0.5779  0.0806  1.0
]