data_[Sm8Pa2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [11.9304]
_cell_length_b [3.5789]
_cell_length_c [8.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4PaN4]
_chemical_formula_sum '[Sm8 Pa2 N8]'
_cell_volume [325.6989]
_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
[
  Sm  Sm0  4  0.1088  0.0000  0.3943  1
  Sm  Sm1  4  0.2034  0.5000  0.8078  1
  Pa  Pa2  2  0.0000  0.5000  0.0000  1
  N  N3  4  0.0902  0.0000  0.9121  1
  N  N4  4  0.1920  0.5000  0.2874  1
]