data_[Y6Pa3W3N18]
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
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7706]
_cell_length_b [5.7706]
_cell_length_c [14.5347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Y2PaWN6]
_chemical_formula_sum '[Y6 Pa3 W3 N18]'
_cell_volume [419.1568]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4650  1
  Y  Y1  3  0.0000  0.0000  0.9612  1
  Pa  Pa2  3  0.0000  0.0000  0.1921  1
  W  W3  3  0.0000  0.0000  0.6930  1
  N  N4  9  0.0053  0.4068  0.4195  1
  N  N5  9  0.0769  0.7061  0.2561  1
]