data_[Na1Tl2Mo1F8]
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
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4505]
_cell_length_b [5.9536]
_cell_length_c [6.9137]
_cell_angle_alpha [91.7393]
_cell_angle_beta [92.1925]
_cell_angle_gamma [90.1476]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTl2MoF8]
_chemical_formula_sum '[Na1 Tl2 Mo1 F8]'
_cell_volume [224.0821]
_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  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.4906  0.4887  0.2337  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1254  0.1966  0.7985  1.0
  F  F4  2  0.1336  0.1994  0.2292  1.0
  F  F5  2  0.3085  0.8307  0.0024  1.0
  F  F6  2  0.3313  0.6960  0.4988  1.0
]