data_[Ba2Tl1Cr1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2/m]
_cell_length_a [4.6583]
_cell_length_b [8.4754]
_cell_length_c [5.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2TlCrF8]
_chemical_formula_sum '[Ba2 Tl1 Cr1 F8]'
_cell_volume [220.3146]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  2  0.5000  0.2403  0.5000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0718  0.1725  0.7793  1.0
  F  F4  2  0.3828  0.0000  0.1999  1.0
  F  F5  2  0.4255  0.5000  0.7270  1.0
]