data_[Sr2Tl4V2F12]
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
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.2177]
_cell_length_b [9.0082]
_cell_length_c [6.6145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [SrTl2VF6]
_chemical_formula_sum '[Sr2 Tl4 V2 F12]'
_cell_volume [370.4806]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.2809  1
  Tl  Tl1  4  0.0000  0.2772  0.7911  1
  V  V2  2  0.0000  0.0000  0.2280  1
  F  F3  4  0.0000  0.2364  0.2155  1
  F  F4  4  0.2483  0.0000  0.4468  1
  F  F5  4  0.2489  0.0000  0.0040  1
]