data_[Sm2Tl3Ag1]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6334]
_cell_length_b [5.0412]
_cell_length_c [8.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm2Tl3Ag]
_chemical_formula_sum '[Sm2 Tl3 Ag1]'
_cell_volume [160.1843]
_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  1  0.0000  0.0000  0.4994  1
  Sm  Sm1  1  0.0000  0.5000  0.0027  1
  Tl  Tl2  1  0.5000  0.0000  0.1816  1
  Tl  Tl3  1  0.5000  0.0000  0.8388  1
  Tl  Tl4  1  0.5000  0.5000  0.6508  1
  Ag  Ag5  1  0.5000  0.5000  0.3267  1
]