data_[Al4Tl2Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2865]
_cell_length_b [3.1973]
_cell_length_c [5.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2TlCr]
_chemical_formula_sum '[Al4 Tl2 Cr2]'
_cell_volume [147.5127]
_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
[
  Al  Al0  2  0.2455  0.0000  0.7352  1
  Al  Al1  2  0.4915  0.5000  0.9709  1
  Tl  Tl2  2  0.2529  0.5000  0.2508  1
  Cr  Cr3  2  0.0101  0.5000  0.5431  1
]