data_[Na2Li4Ca4Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.5809]
_cell_length_b [11.5809]
_cell_length_c [3.9051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [NaLi2Ca2Tl5]
_chemical_formula_sum '[Na2 Li4 Ca4 Tl10]'
_cell_volume [523.7407]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Li  Li1  4  0.1210  0.3790  0.0000  1.0
  Ca  Ca2  4  0.1763  0.6763  0.0000  1.0
  Tl  Tl3  8  0.0663  0.2060  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
]