data_[Sm4Er20Tl4In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5138]
_cell_length_b [8.5138]
_cell_length_c [14.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [SmEr5TlIn2]
_chemical_formula_sum '[Sm4 Er20 Tl4 In8]'
_cell_volume [1028.2237]
_cell_formula_units_Z [4]
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  0.5000  0.2500  1
  Er  Er1  16  0.2094  0.2906  0.3663  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.0000  0.2500  1
  In  In4  8  0.1108  0.3892  0.0000  1
]