data_[Na2Mg2Tl2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0189]
_cell_length_b [4.0313]
_cell_length_c [11.7314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaMgTlSe3]
_chemical_formula_sum '[Na2 Mg2 Tl2 Se6]'
_cell_volume [363.9015]
_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  0.2023  0.7500  0.1603  1
  Mg  Mg1  2  0.3563  0.2500  0.9088  1
  Tl  Tl2  2  0.1074  0.7500  0.6344  1
  Se  Se3  2  0.0890  0.7500  0.8531  1
  Se  Se4  2  0.2342  0.2500  0.5291  1
  Se  Se5  2  0.4522  0.2500  0.1405  1
]