data_[Na2Mg10Tl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.2442]
_cell_length_b [10.8318]
_cell_length_c [10.5545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NaMg5Tl7]
_chemical_formula_sum '[Na2 Mg10 Tl14]'
_cell_volume [713.8658]
_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  0.9834  1.0
  Mg  Mg1  8  0.2477  0.2533  0.2567  1.0
  Mg  Mg2  2  0.0000  0.5000  0.7473  1.0
  Tl  Tl3  4  0.0000  0.3127  0.5147  1.0
  Tl  Tl4  4  0.0000  0.3356  0.9991  1.0
  Tl  Tl5  2  0.0000  0.0000  0.3113  1.0
  Tl  Tl6  2  0.0000  0.0000  0.6300  1.0
  Tl  Tl7  2  0.0000  0.5000  0.2735  1.0
]