data_YCr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   146.87
_cell_angle_beta   126.64
_cell_angle_gamma   64.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Ir
_chemical_formula_sum   'Y1 Cr2 Ir1'
_cell_volume   63.34
_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  Y3  1  0.0  0.0  0.17  1.0
  Cr  Cr0  1  0.0  0.36  0.09  1.0
  Cr  Cr1  1  0.0  0.0  0.9  1.0
  Ir  Ir2  1  0.0  0.36  0.22  1.0

data_YCr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.73
_cell_length_c   5.27
_cell_angle_alpha   116.68
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Ir
_chemical_formula_sum   'Y1 Cr2 Ir1'
_cell_volume   63.34
_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  0.0  0.17  0.17  1.0
  Cr  Cr1  1  0.0  0.9  0.9  1.0
  Cr  Cr2  1  0.64  0.73  0.73  1.0
  Ir  Ir3  1  0.64  0.86  0.86  1.0

Y Cr Cr Ir