data_[Sr3Mn9Tl6F36]
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 [R-3m]
_cell_length_a [7.8658]
_cell_length_b [7.8658]
_cell_length_c [16.5864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SrMn3Tl2F12]
_chemical_formula_sum '[Sr3 Mn9 Tl6 F36]'
_cell_volume [888.7256]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  9  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  6  0.0000  0.0000  0.3841  1.0
  F  F3  18  0.0304  0.5152  0.3848  1.0
  F  F4  18  0.0923  0.5462  0.8130  1.0
]