data_[Pa8Be4Cu4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3134]
_cell_length_b [13.1065]
_cell_length_c [9.2159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2BeCuN5]
_chemical_formula_sum '[Pa8 Be4 Cu4 N20]'
_cell_volume [400.2199]
_cell_formula_units_Z [4]
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  0.0000  0.3724  0.8027  1
  Pa  Pa1  4  0.0000  0.3739  0.2040  1
  Be  Be2  4  0.0000  0.0178  0.9781  1
  Cu  Cu3  4  0.0000  0.2961  0.5068  1
  N  N4  4  0.0000  0.0006  0.2828  1
  N  N5  4  0.0000  0.1326  0.5137  1
  N  N6  4  0.0000  0.2007  0.8443  1
  N  N7  4  0.0000  0.2021  0.1673  1
  N  N8  4  0.0000  0.4523  0.5244  1
]