data_[Ca16Sn2N4]
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 [Immm]
_cell_length_a [4.9431]
_cell_length_b [10.6525]
_cell_length_c [11.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca8SnN2]
_chemical_formula_sum '[Ca16 Sn2 N4]'
_cell_volume [624.1672]
_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
[
  Ca  Ca0  8  0.0000  0.1662  0.1387  1.0
  Ca  Ca1  4  0.0000  0.1824  0.5000  1.0
  Ca  Ca2  4  0.0000  0.5000  0.1396  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0000  0.3299  0.0000  1.0
]