data_[Tl1In1Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1405]
_cell_length_b [4.1107]
_cell_length_c [7.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TlInAg2]
_chemical_formula_sum '[Tl1 In1 Ag2]'
_cell_volume [92.8446]
_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
[
  Tl  Tl0  1  0.5000  0.5000  0.7792  1.0
  In  In1  1  0.0000  0.0000  0.4540  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0347  1.0
  Ag  Ag3  1  0.5000  0.5000  0.2321  1.0
]