data_[Pr10Ta2N12]
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 [6.1935]
_cell_length_b [10.7202]
_cell_length_c [6.1597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5TaN6]
_chemical_formula_sum '[Pr10 Ta2 N12]'
_cell_volume [385.7551]
_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  0.0000  0.1641  0.5000  1.0
  Pr  Pr1  4  0.0000  0.3330  0.0000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2198  0.1458  0.2205  1.0
  N  N5  4  0.2192  0.0000  0.7699  1.0
]