data_[Sm2Dy4Sc2Tl4]
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
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9740]
_cell_length_b [9.8073]
_cell_length_c [6.9424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SmDy2ScTl2]
_chemical_formula_sum '[Sm2 Dy4 Sc2 Tl4]'
_cell_volume [338.6551]
_cell_formula_units_Z [2]
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  0.0000  0.4512  0.4554  1
  Dy  Dy1  2  0.0000  0.1866  0.8464  1
  Dy  Dy2  2  0.5000  0.0500  0.5542  1
  Sc  Sc3  2  0.5000  0.3030  0.1658  1
  Tl  Tl4  2  0.0000  0.1363  0.2927  1
  Tl  Tl5  2  0.5000  0.3780  0.7311  1
]