data_[Sm6Au2N2]
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 [P4/mbm]
_cell_length_a [6.8194]
_cell_length_b [6.8194]
_cell_length_c [4.9769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sm3AuN]
_chemical_formula_sum '[Sm6 Au2 N2]'
_cell_volume [231.4510]
_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  0.1902  0.6902  0.5000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  N  N3  2  0.0000  0.0000  0.5000  1.0
]