data_[Tl3Cr6Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.0334]
_cell_length_b [3.0334]
_cell_length_c [26.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlCr2Ag]
_chemical_formula_sum '[Tl3 Cr6 Ag3]'
_cell_volume [213.1773]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4936  1
  Cr  Cr1  3  0.0000  0.0000  0.0119  1
  Cr  Cr2  3  0.0000  0.0000  0.7348  1
  Ag  Ag3  3  0.0000  0.0000  0.2598  1
]