data_[Ca4Sn4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [6.1934]
_cell_length_b [7.7040]
_cell_length_c [5.6917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CaSnN2]
_chemical_formula_sum '[Ca4 Sn4 N8]'
_cell_volume [271.5790]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0849  0.6229  0.9801  1.0
  Sn  Sn1  4  0.0699  0.1271  0.9946  1.0
  N  N2  4  0.0507  0.1045  0.3614  1.0
  N  N3  4  0.1005  0.6456  0.4049  1.0
]