data_[Sm1Ag1Pb2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0170]
_cell_length_b [4.1263]
_cell_length_c [7.2814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmAg(PbS2)2]
_chemical_formula_sum '[Sm1 Ag1 Pb2 S4]'
_cell_volume [198.7711]
_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  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.2460  0.0000  0.7305  1.0
  S  S5  2  0.2618  0.5000  0.2670  1.0
]