data_[Sm5Tl1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7236]
_cell_length_b [3.7236]
_cell_length_c [18.5052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sm5TlAu4]
_chemical_formula_sum '[Sm5 Tl1 Au4]'
_cell_volume [256.5816]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1126  1.0
  Sm  Sm1  2  0.5000  0.5000  0.3054  1.0
  Sm  Sm2  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Au  Au4  2  0.0000  0.0000  0.2087  1.0
  Au  Au5  2  0.0000  0.0000  0.4026  1.0
]