data_[Tm12Al86Cr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [10.8647]
_cell_length_b [10.8647]
_cell_length_c [17.5478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Tm6Al43Cr4]
_chemical_formula_sum '[Tm12 Al86 Cr8]'
_cell_volume [1793.8535]
_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
[
  Tm  Tm0  12  0.0000  0.4691  0.0951  1
  Al  Al1  24  0.1580  0.3915  0.6652  1
  Al  Al2  12  0.0000  0.1562  0.1156  1
  Al  Al3  12  0.0000  0.2512  0.5300  1
  Al  Al4  12  0.1446  0.5465  0.2500  1
  Al  Al5  12  0.2468  0.4936  0.0000  1
  Al  Al6  8  0.3333  0.6667  0.1266  1
  Al  Al7  6  0.0000  0.1454  0.7500  1
  Cr  Cr8  6  0.0000  0.2678  0.2500  1
  Cr  Cr9  2  0.0000  0.0000  0.0000  1
]