data_[Zr12Rh4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9760]
_cell_length_b [6.4699]
_cell_length_c [10.7259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6Rh2N]
_chemical_formula_sum '[Zr12 Rh4 N2]'
_cell_volume [352.7583]
_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
[
  Zr  Zr0  4  0.1326  0.1839  0.4444  1.0
  Zr  Zr1  4  0.2701  0.6924  0.4461  1.0
  Zr  Zr2  4  0.3839  0.0205  0.2583  1.0
  Rh  Rh3  4  0.1862  0.0998  0.7452  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]