data_[Na8Mg4Tl20In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0892]
_cell_length_b [17.6148]
_cell_length_c [12.0378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2MgTl5In]
_chemical_formula_sum '[Na8 Mg4 Tl20 In4]'
_cell_volume [1079.1387]
_cell_formula_units_Z [4]
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  4  0.0000  0.0660  0.3154  1.0
  Na  Na1  4  0.0000  0.1486  0.7182  1.0
  Mg  Mg2  4  0.0000  0.1951  0.0414  1.0
  Tl  Tl3  4  0.0000  0.0137  0.0531  1.0
  Tl  Tl4  4  0.0000  0.2428  0.3715  1.0
  Tl  Tl5  4  0.0000  0.3304  0.6931  1.0
  Tl  Tl6  4  0.0000  0.3698  0.9803  1.0
  Tl  Tl7  4  0.0000  0.4799  0.2071  1.0
  In  In8  4  0.0000  0.4122  0.4440  1.0
]