data_[Y4Al6Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.6121]
_cell_length_b [5.6121]
_cell_length_c [8.8693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Y2Al3Cr]
_chemical_formula_sum '[Y4 Al6 Cr2]'
_cell_volume [241.9174]
_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
[
  Y  Y0  4  0.3333  0.6667  0.5571  1.0
  Al  Al1  6  0.1653  0.3305  0.2500  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
]