data_[Y1Al2Cr1]
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 [Pm]
_cell_length_a [3.2097]
_cell_length_b [4.3491]
_cell_length_c [5.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YAl2Cr]
_chemical_formula_sum '[Y1 Al2 Cr1]'
_cell_volume [79.0348]
_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
[
  Y  Y0  1  0.2306  0.5000  0.7865  1
  Al  Al1  1  0.8297  0.0000  0.0180  1
  Al  Al2  1  0.9291  0.5000  0.2724  1
  Cr  Cr3  1  0.5107  0.0000  0.4231  1
]