data_[Sm4Tl1Ag3]
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 [3.7785]
_cell_length_b [4.9129]
_cell_length_c [11.6878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm4TlAg3]
_chemical_formula_sum '[Sm4 Tl1 Ag3]'
_cell_volume [216.9676]
_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  0.1539  1.0
  Sm  Sm1  1  0.0000  0.5000  0.8436  1.0
  Sm  Sm2  1  0.5000  0.0000  0.6415  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3617  1.0
  Tl  Tl4  1  0.5000  0.5000  0.0799  1.0
  Ag  Ag5  1  0.0000  0.0000  0.4261  1.0
  Ag  Ag6  1  0.0000  0.5000  0.5762  1.0
  Ag  Ag7  1  0.5000  0.0000  0.9170  1.0
]