data_[Pa4Ni2C2N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7153]
_cell_length_b [6.7153]
_cell_length_c [4.7960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Pa2NiCN5]
_chemical_formula_sum '[Pa4 Ni2 C2 N10]'
_cell_volume [216.2753]
_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  0.1888  0.3112  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  C  C2  2  0.0000  0.5000  0.0000  1
  N  N3  8  0.1160  0.6160  0.2265  1
  N  N4  2  0.0000  0.0000  0.5000  1
]