data_[Ba4Zn2Ga2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7126]
_cell_length_b [4.0890]
_cell_length_c [9.3328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2ZnGaN]
_chemical_formula_sum '[Ba4 Zn2 Ga2 N2]'
_cell_volume [283.4013]
_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  0.1800  0.2500  0.3731  1.0
  Ba  Ba1  2  0.1962  0.2500  0.9565  1.0
  Zn  Zn2  2  0.4328  0.7500  0.2316  1.0
  Ga  Ga3  2  0.3458  0.7500  0.6857  1.0
  N  N4  2  0.1686  0.7500  0.1620  1.0
]