data_[Sm4C1S2N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5388]
_cell_length_b [3.7794]
_cell_length_c [6.8208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4CS2N]
_chemical_formula_sum '[Sm4 C1 S2 N1]'
_cell_volume [159.7042]
_cell_formula_units_Z [1]
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  2  0.2377  0.5000  0.2122  1.0
  Sm  Sm1  2  0.2616  0.0000  0.7844  1.0
  C  C2  1  0.5000  0.5000  0.0000  1.0
  S  S3  1  0.0000  0.5000  0.5000  1.0
  S  S4  1  0.5000  0.0000  0.5000  1.0
  N  N5  1  0.0000  0.0000  0.0000  1.0
]