data_[Pr4Ta4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3981]
_cell_length_b [4.2348]
_cell_length_c [5.8954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ta2N5]
_chemical_formula_sum '[Pr4 Ta4 N10]'
_cell_volume [264.0938]
_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
[
  Pr  Pr0  4  0.1082  0.5000  0.3256  1.0
  Ta  Ta1  4  0.1545  0.0000  0.8854  1.0
  N  N2  4  0.1514  0.5000  0.9149  1.0
  N  N3  4  0.1587  0.0000  0.5632  1.0
  N  N4  2  0.0000  0.0000  0.0000  1.0
]