data_[Sm4Tl5Au2]
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 [P2/m]
_cell_length_a [8.2242]
_cell_length_b [3.6931]
_cell_length_c [9.9804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Tl5Au2]
_chemical_formula_sum '[Sm4 Tl5 Au2]'
_cell_volume [302.6602]
_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  0.2059  0.5000  0.8560  1.0
  Sm  Sm1  2  0.2238  0.5000  0.4202  1.0
  Tl  Tl2  2  0.1467  0.0000  0.1330  1.0
  Tl  Tl3  2  0.4593  0.0000  0.6658  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0799  0.0000  0.6319  1.0
]