data_[Sr2Pa8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1149]
_cell_length_b [3.7191]
_cell_length_c [9.5945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(PaN2)4]
_chemical_formula_sum '[Sr2 Pa8 N16]'
_cell_volume [407.4765]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.1156  0.5000  0.4365  1
  Pa  Pa2  4  0.1648  0.0000  0.8072  1
  N  N3  4  0.0294  0.0000  0.2813  1
  N  N4  4  0.0921  0.5000  0.6529  1
  N  N5  4  0.1607  0.5000  0.9902  1
  N  N6  4  0.2238  0.0000  0.5968  1
]