data_YBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   136.09
_cell_angle_beta   136.09
_cell_angle_gamma   63.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiIr2
_chemical_formula_sum   'Y1 Bi1 Ir2'
_cell_volume   79.56
_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  0.0  1.0
  Bi  Bi0  1  0.06  0.0  0.34  1.0
  Ir  Ir1  1  0.0  0.0  0.68  1.0
  Ir  Ir2  1  0.0  0.06  0.34  1.0

data_YBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.51
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiIr2
_chemical_formula_sum   'Y1 Bi1 Ir2'
_cell_volume   79.56
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.66  0.0  0.72  1.0
  Ir  Ir2  1  0.32  0.0  0.32  1.0
  Ir  Ir3  1  0.72  0.06  0.72  1.0

Y Bi Ir Ir
Y Bi Ir Ir 0 3 o o o 0 2 o o - 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 