data_[Sm4Ga4Pb4S12]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1908]
_cell_length_b [13.7867]
_cell_length_c [10.1652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmGaPbS3]
_chemical_formula_sum '[Sm4 Ga4 Pb4 S12]'
_cell_volume [587.3192]
_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  0.5000  0.0000  1
  Ga  Ga1  4  0.0000  0.0486  0.7500  1
  Pb  Pb2  4  0.0000  0.2308  0.2500  1
  S  S3  8  0.0000  0.1392  0.5371  1
  S  S4  4  0.0000  0.4077  0.7500  1
]