data_[Sm20Bi8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.5018]
_cell_length_b [16.0551]
_cell_length_c [12.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm5Bi2N]
_chemical_formula_sum '[Sm20 Bi8 N4]'
_cell_volume [1122.2773]
_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  0.0000  0.0714  0.1296  1
  Sm  Sm1  8  0.0000  0.2818  0.0948  1
  Sm  Sm2  4  0.0000  0.3020  0.7500  1
  Bi  Bi3  8  0.0000  0.1316  0.6019  1
  N  N4  4  0.0000  0.1859  0.2500  1
]