data_[Y1Cr2Sb1]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2437]
_cell_length_b [4.1993]
_cell_length_c [6.4557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YCr2Sb]
_chemical_formula_sum '[Y1 Cr2 Sb1]'
_cell_volume [85.9445]
_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  0.2771  0.5000  0.7360  1
  Cr  Cr1  1  0.5628  0.5000  0.1915  1
  Cr  Cr2  1  0.9940  0.0000  0.0935  1
  Sb  Sb3  1  0.6661  0.0000  0.4791  1
]