data_[Pr8Ta2N10]
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 [I4]
_cell_length_a [7.9064]
_cell_length_b [7.9064]
_cell_length_c [5.2191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Pr4TaN5]
_chemical_formula_sum '[Pr8 Ta2 N10]'
_cell_volume [326.2512]
_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  8  0.1058  0.6965  0.5023  1
  Ta  Ta1  2  0.0000  0.0000  0.0563  1
  N  N2  8  0.0886  0.7393  0.0050  1
  N  N3  2  0.0000  0.0000  0.4248  1
]