data_[Ba4Ga2As2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  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 [7.0882]
_cell_length_b [4.2692]
_cell_length_c [9.6287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2GaAsN]
_chemical_formula_sum '[Ba4 Ga2 As2 N2]'
_cell_volume [273.3139]
_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  0.1988  0.2500  0.3801  1.0
  Ba  Ba1  2  0.2141  0.2500  0.9709  1.0
  Ga  Ga2  2  0.4658  0.7500  0.2548  1.0
  As  As3  2  0.3298  0.7500  0.7025  1.0
  N  N4  2  0.1829  0.7500  0.1655  1.0
]