data_[Tl6Cr2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7274]
_cell_length_b [5.4305]
_cell_length_c [21.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3CrF2]
_chemical_formula_sum '[Tl6 Cr2 F4]'
_cell_volume [665.3869]
_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
[
  Tl  Tl0  1  0.1836  0.5000  0.6297  1
  Tl  Tl1  1  0.2896  0.0000  0.3613  1
  Tl  Tl2  1  0.6226  0.5000  0.5148  1
  Tl  Tl3  1  0.7199  0.0000  0.6505  1
  Tl  Tl4  1  0.7798  0.5000  0.3517  1
  Tl  Tl5  1  0.8989  0.0000  0.4866  1
  Cr  Cr6  1  0.1329  0.5000  0.4692  1
  Cr  Cr7  1  0.3914  0.0000  0.5252  1
  F  F8  1  0.2722  0.0000  0.6197  1
  F  F9  1  0.3300  0.5000  0.3844  1
  F  F10  1  0.6435  0.5000  0.6362  1
  F  F11  1  0.7355  0.0000  0.3706  1
]