data_[Ta12Rh6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [5.3948]
_cell_length_b [7.5204]
_cell_length_c [9.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ta6Rh3N]
_chemical_formula_sum '[Ta12 Rh6 N2]'
_cell_volume [323.8537]
_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
[
  Ta  Ta0  4  0.0418  0.1171  0.2236  1
  Ta  Ta1  4  0.2844  0.7270  0.6237  1
  Ta  Ta2  4  0.3633  0.1486  0.0273  1
  Rh  Rh3  4  0.2098  0.0696  0.6647  1
  Rh  Rh4  2  0.5000  0.0000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]