data_[Sr3Li6Tl2Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3806]
_cell_length_b [6.3806]
_cell_length_c [9.3527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Li6Tl2Cd]
_chemical_formula_sum '[Sr3 Li6 Tl2 Cd1]'
_cell_volume [329.7528]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.6037  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Li  Li2  6  0.1786  0.3572  0.2669  1
  Tl  Tl3  2  0.3333  0.6667  0.9858  1
  Cd  Cd4  1  0.0000  0.0000  0.5000  1
]