data_[Tl4Cr4O12F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4895]
_cell_length_b [8.2664]
_cell_length_c [4.7845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCrO3F]
_chemical_formula_sum '[Tl4 Cr4 O12 F4]'
_cell_volume [371.3210]
_cell_formula_units_Z [4]
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  4  0.0000  0.2395  0.0000  1
  Cr  Cr1  4  0.2294  0.5000  0.5149  1
  O  O2  8  0.1478  0.3404  0.6045  1
  O  O3  4  0.1055  0.0000  0.3292  1
  F  F4  4  0.2211  0.5000  0.1403  1
]