data_[Zr4Si1Bi1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3594]
_cell_length_b [3.3594]
_cell_length_c [13.8345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Zr4SiBiN2]
_chemical_formula_sum '[Zr4 Si1 Bi1 N2]'
_cell_volume [135.2109]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3541  1
  Zr  Zr1  2  0.6667  0.3333  0.1761  1
  Si  Si2  1  0.6667  0.3333  0.5000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.3333  0.6667  0.2643  1
]