data_[Na3Mg2Tl7]
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 [P2/m]
_cell_length_a [5.5603]
_cell_length_b [3.6187]
_cell_length_c [17.7317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na3Mg2Tl7]
_chemical_formula_sum '[Na3 Mg2 Tl7]'
_cell_volume [352.6622]
_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
[
  Na  Na0  2  0.1901  0.0000  0.3728  1.0
  Na  Na1  1  0.5000  0.5000  0.0000  1.0
  Mg  Mg2  2  0.3495  0.5000  0.7122  1.0
  Tl  Tl3  2  0.1045  0.5000  0.1917  1.0
  Tl  Tl4  2  0.2702  0.5000  0.5438  1.0
  Tl  Tl5  2  0.4189  0.0000  0.8550  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
]