data_[Na4Tl4In4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0932]
_cell_length_b [3.5812]
_cell_length_c [10.3076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlInF3]
_chemical_formula_sum '[Na4 Tl4 In4 F12]'
_cell_volume [483.6260]
_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  0.1515  0.5000  0.5231  1.0
  Tl  Tl1  4  0.1224  0.5000  0.1725  1.0
  In  In2  4  0.1049  0.0000  0.8229  1.0
  F  F3  4  0.0187  0.5000  0.6702  1.0
  F  F4  4  0.1669  0.0000  0.3702  1.0
  F  F5  4  0.1845  0.0000  0.6911  1.0
]