data_[Li6Tl6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.4660]
_cell_length_b [15.4650]
_cell_length_c [18.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li3Tl3P2]
_chemical_formula_sum '[Li6 Tl6 P4]'
_cell_volume [1250.4666]
_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
[
  Li  Li0  4  0.1421  0.3024  0.4394  1
  Li  Li1  2  0.4821  0.5000  0.4268  1
  Tl  Tl2  4  0.2707  0.3293  0.5983  1
  Tl  Tl3  2  0.4035  0.0000  0.5516  1
  P  P4  4  0.1484  0.8597  0.4732  1
]