data_[Sm10Er2Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.4345]
_cell_length_b [9.4345]
_cell_length_c [9.3020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sm5ErTl8]
_chemical_formula_sum '[Sm10 Er2 Tl16]'
_cell_volume [827.9606]
_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  8  0.1205  0.2460  0.8730  1
  Sm  Sm1  2  0.0000  0.0000  0.5000  1
  Er  Er2  2  0.0000  0.5000  0.2500  1
  Tl  Tl3  8  0.0783  0.3331  0.5373  1
  Tl  Tl4  8  0.0844  0.1754  0.2099  1
]