data_[Sm8Er6Tl8]
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 [Immm]
_cell_length_a [3.6105]
_cell_length_b [9.4860]
_cell_length_c [19.2089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm4Er3Tl4]
_chemical_formula_sum '[Sm8 Er6 Tl8]'
_cell_volume [657.8990]
_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  0.0000  0.1783  0.3388  1.0
  Er  Er1  4  0.0000  0.0000  0.0945  1.0
  Er  Er2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.2820  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2747  1.0
]