data_[Tl2Ag2Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5200]
_cell_length_b [5.7363]
_cell_length_c [7.8596]
_cell_angle_alpha [87.6482]
_cell_angle_beta [88.7687]
_cell_angle_gamma [89.4509]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAgSn]
_chemical_formula_sum '[Tl2 Ag2 Sn2]'
_cell_volume [158.5213]
_cell_formula_units_Z [2]
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  2  0.2665  0.7447  0.0846  1.0
  Ag  Ag1  2  0.2443  0.3513  0.5957  1.0
  Sn  Sn2  2  0.2330  0.8566  0.6691  1.0
]