data_[Sm1Pa2Si2N6]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.9639]
_cell_length_b [5.9639]
_cell_length_c [5.9554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [SmPa2(SiN3)2]
_chemical_formula_sum '[Sm1 Pa2 Si2 N6]'
_cell_volume [183.4413]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Pa  Pa1  2  0.3333  0.6667  0.8595  1
  Si  Si2  2  0.3333  0.6667  0.3285  1
  N  N3  6  0.0674  0.3969  0.1890  1
]