data_[Pa4V2Zn2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3792]
_cell_length_b [5.7885]
_cell_length_c [9.2216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pa2VZnN6]
_chemical_formula_sum '[Pa4 V2 Zn2 N12]'
_cell_volume [235.5165]
_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
[
  Pa  Pa0  4  0.2279  0.5798  0.7461  1
  V  V1  2  0.5000  0.0000  0.0000  1
  Zn  Zn2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.1388  0.6682  0.4444  1
  N  N4  4  0.2690  0.1988  0.4340  1
  N  N5  4  0.3795  0.5539  0.2583  1
]