data_[Sm4Al2V2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3156]
_cell_length_b [6.8988]
_cell_length_c [11.0672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2AlVS6]
_chemical_formula_sum '[Sm4 Al2 V2 S12]'
_cell_volume [397.9103]
_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  0.2873  0.6010  0.7488  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  S  S3  4  0.1321  0.5215  0.2487  1.0
  S  S4  4  0.2349  0.1893  0.0543  1.0
  S  S5  4  0.3724  0.6855  0.0533  1.0
]