data_[Y6Cr6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5271]
_cell_length_b [11.9928]
_cell_length_c [6.4124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YCr]
_chemical_formula_sum '[Y6 Cr6]'
_cell_volume [271.2465]
_cell_formula_units_Z [6]
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  0.0000  0.2808  0.2878  1
  Y  Y1  2  0.0000  0.0000  0.0645  1
  Cr  Cr2  4  0.0000  0.4114  0.8960  1
  Cr  Cr3  2  0.0000  0.0000  0.5661  1
]