data_[Sm2Dy1Tm1S5]
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
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8185]
_cell_length_b [4.8185]
_cell_length_c [10.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm2DyTmS5]
_chemical_formula_sum '[Sm2 Dy1 Tm1 S5]'
_cell_volume [236.7308]
_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  2  0.5000  0.5000  0.2995  1
  Dy  Dy1  1  0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.0000  0.0000  0.5000  1
  S  S3  2  0.0000  0.0000  0.2464  1
  S  S4  2  0.0000  0.5000  0.5000  1
  S  S5  1  0.5000  0.5000  0.0000  1
]