data_[Sc4Pa8Co4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3000]
_cell_length_b [12.9510]
_cell_length_c [10.0703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ScPa2CoN5]
_chemical_formula_sum '[Sc4 Pa8 Co4 N20]'
_cell_volume [430.3916]
_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
[
  Sc  Sc0  4  0.0000  0.1976  0.0062  1
  Pa  Pa1  4  0.0000  0.1055  0.6825  1
  Pa  Pa2  4  0.0000  0.1447  0.3047  1
  Co  Co3  4  0.0000  0.4771  0.4564  1
  N  N4  4  0.0000  0.0451  0.0672  1
  N  N5  4  0.0000  0.2801  0.6693  1
  N  N6  4  0.0000  0.3265  0.3655  1
  N  N7  4  0.0000  0.3692  0.9963  1
  N  N8  4  0.0000  0.4846  0.7759  1
]