data_[La4Rh4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2923]
_cell_length_b [4.1189]
_cell_length_c [7.8938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaRhN3]
_chemical_formula_sum '[La4 Rh4 N12]'
_cell_volume [355.3074]
_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
[
  La  La0  4  0.1596  0.0000  0.8182  1.0
  Rh  Rh1  4  0.0478  0.5000  0.1639  1.0
  N  N2  4  0.1134  0.5000  0.4044  1.0
  N  N3  4  0.1411  0.5000  0.9730  1.0
  N  N4  4  0.1489  0.5000  0.5567  1.0
]