data_[Sm1Dy1S2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2452]
_cell_length_b [5.4274]
_cell_length_c [9.6139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SmDy(SI)2]
_chemical_formula_sum '[Sm1 Dy1 S2 I2]'
_cell_volume [221.5110]
_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  0.5000  0.1195  1
  Dy  Dy1  1  0.0000  0.0000  0.8812  1
  S  S2  1  0.0000  0.5000  0.9287  1
  S  S3  1  0.5000  0.0000  0.0626  1
  I  I4  1  0.0000  0.5000  0.3564  1
  I  I5  1  0.5000  0.0000  0.6517  1
]