data_[Rb2Fe2N2]
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 [Pmm2]
_cell_length_a [4.6405]
_cell_length_b [5.5233]
_cell_length_c [18.8516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [RbFeN]
_chemical_formula_sum '[Rb2 Fe2 N2]'
_cell_volume [483.1848]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.5820  1
  Rb  Rb1  1  0.5000  0.5000  0.3777  1
  Fe  Fe2  1  0.0000  0.0000  0.4397  1
  Fe  Fe3  1  0.5000  0.0000  0.5177  1
  N  N4  2  0.1427  0.0000  0.5412  1
]