data_[Sm12Re4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6362]
_cell_length_b [12.1699]
_cell_length_c [5.4005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm3ReN6]
_chemical_formula_sum '[Sm12 Re4 N24]'
_cell_volume [633.3304]
_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
[
  Sm  Sm0  8  0.1925  0.1067  0.5255  1
  Sm  Sm1  4  0.0000  0.3945  0.5584  1
  Re  Re2  4  0.0000  0.1960  0.9796  1
  N  N3  8  0.1506  0.2601  0.8338  1
  N  N4  8  0.1593  0.4911  0.2887  1
  N  N5  4  0.0000  0.0549  0.8612  1
  N  N6  4  0.0000  0.2074  0.3195  1
]