data_[Ba4In2Sn2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7279]
_cell_length_b [4.5765]
_cell_length_c [9.6294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2InSnN]
_chemical_formula_sum '[Ba4 In2 Sn2 N2]'
_cell_volume [322.8124]
_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
[
  Ba  Ba0  2  0.1847  0.2500  0.3702  1
  Ba  Ba1  2  0.1918  0.2500  0.9629  1
  In  In2  2  0.4557  0.7500  0.2431  1
  Sn  Sn3  2  0.3178  0.7500  0.6954  1
  N  N4  2  0.1640  0.7500  0.1672  1
]