data_[Pr2Y2Ta2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6074]
_cell_length_b [3.3812]
_cell_length_c [9.5897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrYTaN3]
_chemical_formula_sum '[Pr2 Y2 Ta2 N6]'
_cell_volume [213.1072]
_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  2  0.2114  0.7500  0.2469  1
  Y  Y1  2  0.3355  0.2500  0.8865  1
  Ta  Ta2  2  0.1402  0.7500  0.5808  1
  N  N3  2  0.1078  0.7500  0.7834  1
  N  N4  2  0.1983  0.2500  0.4726  1
  N  N5  2  0.4021  0.2500  0.1241  1
]