data_[Sm12Au4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7531]
_cell_length_b [7.1977]
_cell_length_c [11.9452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm6Au2N]
_chemical_formula_sum '[Sm12 Au4 N2]'
_cell_volume [483.3060]
_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  0.1490  0.1922  0.4468  1.0
  Sm  Sm1  4  0.2614  0.7090  0.4474  1.0
  Sm  Sm2  4  0.3707  0.0239  0.2587  1.0
  Au  Au3  4  0.2082  0.0785  0.7496  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]