data_[Sm4Al2Cr2S12]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3151]
_cell_length_b [6.8726]
_cell_length_c [11.0362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2AlCrS6]
_chemical_formula_sum '[Sm4 Al2 Cr2 S12]'
_cell_volume [395.7497]
_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  0.2872  0.6008  0.7495  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  2  0.5000  0.0000  0.0000  1.0
  S  S3  4  0.1338  0.5211  0.2497  1.0
  S  S4  4  0.2362  0.1885  0.0530  1.0
  S  S5  4  0.3720  0.6879  0.0527  1.0
]