data_[Tl2Cr4Fe2O16]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9474]
_cell_length_b [5.5612]
_cell_length_c [8.2875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCr2FeO8]
_chemical_formula_sum '[Tl2 Cr4 Fe2 O16]'
_cell_volume [411.1128]
_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  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  4  0.1311  0.5000  0.8059  1.0
  Fe  Fe2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0265  0.2508  0.8291  1.0
  O  O4  4  0.1850  0.5000  0.6225  1.0
  O  O5  4  0.2223  0.0000  0.0583  1.0
]