data_[Pa2Ta4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5868]
_cell_length_b [12.3082]
_cell_length_c [5.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PaTa2N5]
_chemical_formula_sum '[Pa2 Ta4 N10]'
_cell_volume [225.0234]
_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  0.0000  0.1532  0.6031  1
  Pa  Pa1  2  0.0000  0.5000  0.8595  1
  N  N2  4  0.0000  0.1071  0.9561  1
  N  N3  4  0.0000  0.3281  0.5735  1
  N  N4  2  0.0000  0.0000  0.4384  1
]