data_[Sm6Er8Tl8]
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 [3.7434]
_cell_length_b [9.8133]
_cell_length_c [18.2108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3(ErTl)4]
_chemical_formula_sum '[Sm6 Er8 Tl8]'
_cell_volume [668.9709]
_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  4  0.0000  0.0000  0.1020  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  8  0.0000  0.2011  0.3333  1.0
  Tl  Tl3  4  0.0000  0.2792  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2540  1.0
]