data_[Sm8Ga4Ag4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8463]
_cell_length_b [17.6554]
_cell_length_c [11.2636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2GaAgS5]
_chemical_formula_sum '[Sm8 Ga4 Ag4 S20]'
_cell_volume [764.8924]
_cell_formula_units_Z [4]
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  0.0000  0.1180  0.6809  1.0
  Sm  Sm1  4  0.0000  0.1257  0.2975  1.0
  Ga  Ga2  4  0.0000  0.4333  0.4538  1.0
  Ag  Ag3  4  0.0000  0.2274  0.0221  1.0
  S  S4  4  0.0000  0.0401  0.0638  1.0
  S  S5  4  0.0000  0.2905  0.6821  1.0
  S  S6  4  0.0000  0.3218  0.3521  1.0
  S  S7  4  0.0000  0.3689  0.9953  1.0
  S  S8  4  0.0000  0.4987  0.2763  1.0
]