data_[Zr16Ga4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4097]
_cell_length_b [11.2033]
_cell_length_c [11.6665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr4GaN2]
_chemical_formula_sum '[Zr16 Ga4 N8]'
_cell_volume [445.6636]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  8  0.0000  0.2390  0.6053  1.0
  Zr  Zr1  4  0.0000  0.0788  0.2500  1.0
  Zr  Zr2  4  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  4  0.0000  0.3895  0.2500  1.0
  N  N4  8  0.0000  0.1333  0.0619  1.0
]