data_[Mg1Tl1Sb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.7661]
_cell_length_b [5.7661]
_cell_length_c [5.7025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [MgTlSbF6]
_chemical_formula_sum '[Mg1 Tl1 Sb1 F6]'
_cell_volume [164.1925]
_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
[
  Mg  Mg0  1  0.3333  0.6667  0.4947  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0124  1.0
  Sb  Sb2  1  0.6667  0.3333  0.5395  1.0
  F  F3  3  0.0570  0.3565  0.6782  1.0
  F  F4  3  0.4347  0.4195  0.3056  1.0
]