data_[Ba4Ni2As2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7808]
_cell_length_b [4.1308]
_cell_length_c [9.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2NiAsN]
_chemical_formula_sum '[Ba4 Ni2 As2 N2]'
_cell_volume [251.6468]
_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  0.1794  0.7500  0.3834  1.0
  Ba  Ba1  2  0.2563  0.2500  0.0326  1.0
  Ni  Ni2  2  0.2297  0.7500  0.7504  1.0
  As  As3  2  0.3625  0.2500  0.7021  1.0
  N  N4  2  0.0238  0.7500  0.8261  1.0
]