data_[Tl4Cr4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6055]
_cell_length_b [6.0736]
_cell_length_c [6.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCrCl4]
_chemical_formula_sum '[Tl4 Cr4 Cl16]'
_cell_volume [602.9004]
_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  0.1948  0.7500  1.0
  Cr  Cr1  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl2  8  0.1048  0.3740  0.4344  1.0
  Cl  Cl3  8  0.2024  0.0660  0.1637  1.0
]