data_[Sm12Er4Tl2]
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 [P4_2/mnm]
_cell_length_a [10.7703]
_cell_length_b [10.7703]
_cell_length_c [4.9335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sm6Er2Tl]
_chemical_formula_sum '[Sm12 Er4 Tl2]'
_cell_volume [572.2777]
_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  0.0020  0.6657  0.5000  1.0
  Sm  Sm1  4  0.1598  0.8402  0.0000  1.0
  Er  Er2  4  0.1637  0.1637  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
]