data_[Rb4Fe4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9055]
_cell_length_b [3.5457]
_cell_length_c [5.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFeN]
_chemical_formula_sum '[Rb4 Fe4 N4]'
_cell_volume [251.4722]
_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
[
  Rb  Rb0  4  0.0957  0.5000  0.8274  1.0
  Fe  Fe1  4  0.1876  0.0000  0.4140  1.0
  N  N2  4  0.1606  0.5000  0.3775  1.0
]