data_[Tl2In2Ag2]
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 [P2_1/m]
_cell_length_a [3.4500]
_cell_length_b [4.7682]
_cell_length_c [9.1921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlInAg]
_chemical_formula_sum '[Tl2 In2 Ag2]'
_cell_volume [150.7265]
_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  0.2231  0.7500  0.9104  1
  In  In1  2  0.0192  0.2500  0.6707  1
  Ag  Ag2  2  0.4697  0.2500  0.3984  1
]