data_[Na4Mg4Tl14]
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 [4.9887]
_cell_length_b [14.6684]
_cell_length_c [8.7352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na2Mg2Tl7]
_chemical_formula_sum '[Na4 Mg4 Tl14]'
_cell_volume [639.2080]
_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  0.6329  1.0
  Na  Na1  2  0.0000  0.5000  0.8169  1.0
  Mg  Mg2  4  0.0000  0.2886  0.6209  1.0
  Tl  Tl3  4  0.0000  0.1533  0.3247  1.0
  Tl  Tl4  4  0.0000  0.1581  0.9128  1.0
  Tl  Tl5  4  0.0000  0.3549  0.1208  1.0
  Tl  Tl6  2  0.0000  0.5000  0.4457  1.0
]