data_[Sm7Dy3Tl1]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0545]
_cell_length_b [7.0545]
_cell_length_c [8.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm7Dy3Tl]
_chemical_formula_sum '[Sm7 Dy3 Tl1]'
_cell_volume [370.2130]
_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  3  0.0056  0.5028  0.5516  1
  Sm  Sm1  3  0.3298  0.1649  0.8810  1
  Sm  Sm2  1  0.3333  0.6667  0.8895  1
  Dy  Dy3  3  0.1675  0.3350  0.2181  1
  Tl  Tl4  1  0.0000  0.0000  0.5430  1
]