data_[Sm8P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1003]
_cell_length_b [11.4022]
_cell_length_c [4.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmPN3]
_chemical_formula_sum '[Sm8 P8 N24]'
_cell_volume [511.0219]
_cell_formula_units_Z [8]
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  0.0000  0.0940  0.2500  1
  Sm  Sm1  4  0.0000  0.2927  0.7500  1
  P  P2  8  0.1950  0.4278  0.3200  1
  N  N3  8  0.0829  0.3123  0.2332  1
  N  N4  8  0.1357  0.1054  0.7142  1
  N  N5  8  0.1578  0.4525  0.6398  1
]