data_[Y2Pa10N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0563]
_cell_length_b [10.4839]
_cell_length_c [6.0540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YPa5N6]
_chemical_formula_sum '[Y2 Pa10 N12]'
_cell_volume [362.4611]
_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
[
  Y  Y0  2  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.0000  0.1652  0.5000  1
  Pa  Pa2  4  0.0000  0.3331  0.0000  1
  Pa  Pa3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2495  0.3326  0.7508  1
  N  N5  4  0.2482  0.5000  0.2493  1
]