data_[Sm12Se2S6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1171]
_cell_length_b [3.8530]
_cell_length_c [7.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SeS3N2]
_chemical_formula_sum '[Sm12 Se2 S6 N4]'
_cell_volume [508.2113]
_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  0.0219  0.0000  0.2734  1.0
  Sm  Sm1  4  0.1752  0.5000  0.1273  1.0
  Sm  Sm2  4  0.1787  0.5000  0.5652  1.0
  Se  Se3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.1601  0.0000  0.8337  1.0
  S  S5  2  0.0000  0.5000  0.5000  1.0
  N  N6  4  0.1700  0.0000  0.3345  1.0
]