data_[Sr2Mn2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.2639]
_cell_length_b [9.0531]
_cell_length_c [6.6392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [SrMnTl2F6]
_chemical_formula_sum '[Sr2 Mn2 Tl4 F12]'
_cell_volume [376.4969]
_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  0.7204  1.0
  Mn  Mn1  2  0.0000  0.0000  0.7663  1.0
  Tl  Tl2  4  0.0000  0.2773  0.2039  1.0
  F  F3  4  0.0000  0.2382  0.7922  1.0
  F  F4  4  0.2488  0.0000  0.5505  1.0
  F  F5  4  0.2497  0.5000  0.0057  1.0
]