data_[Sr1Tl2Mo1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [4.5558]
_cell_length_b [6.5788]
_cell_length_c [7.6906]
_cell_angle_alpha [89.5848]
_cell_angle_beta [89.8549]
_cell_angle_gamma [85.2598]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrTl2MoF8]
_chemical_formula_sum '[Sr1 Tl2 Mo1 F8]'
_cell_volume [229.7040]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.4941  0.4902  0.2475  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0969  0.1807  0.2090  1.0
  F  F4  2  0.1057  0.1765  0.7986  1.0
  F  F5  2  0.3720  0.8267  0.9968  1.0
  F  F6  2  0.4474  0.7711  0.4980  1.0
]