data_[Sm12Se2S4N6]
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 [16.9392]
_cell_length_b [3.7468]
_cell_length_c [7.8102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SeS2N3]
_chemical_formula_sum '[Sm12 Se2 S4 N6]'
_cell_volume [474.4278]
_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  0.0100  0.0000  0.7219  1.0
  Sm  Sm1  4  0.1587  0.5000  0.6038  1.0
  Sm  Sm2  4  0.1780  0.5000  0.0624  1.0
  Se  Se3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.1664  0.0000  0.3322  1.0
  N  N5  4  0.1671  0.0000  0.8312  1.0
  N  N6  2  0.0000  0.5000  0.5000  1.0
]