data_[Dy1In2Pb1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  In  1.7800  1.5500  0.9400
  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 [7.2498]
_cell_length_b [4.0115]
_cell_length_c [7.3505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [DyIn2PbS4]
_chemical_formula_sum '[Dy1 In2 Pb1 S4]'
_cell_volume [203.2631]
_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
[
  Dy  Dy0  1  0.0000  0.0000  0.0000  1
  In  In1  1  0.5000  0.0000  0.5000  1
  In  In2  1  0.5000  0.5000  0.0000  1
  Pb  Pb3  1  0.0000  0.5000  0.5000  1
  S  S4  2  0.2237  0.5000  0.2145  1
  S  S5  2  0.2464  0.0000  0.7769  1
]