data_VCuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   4.3
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   92.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuIr2
_chemical_formula_sum   'V1 Cu1 Ir2'
_cell_volume   55.59
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.23  0.0  0.42  1.0
  Ir  Ir1  1  0.5  0.15  0.6  1.0
  Ir  Ir2  1  0.95  0.15  0.23  1.0

data_VCuIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.3
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   92.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuIr2
_chemical_formula_sum   'V1 Cu1 Ir2'
_cell_volume   55.59
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.23  0.0  0.42  1.0
  Ir  Ir2  1  0.5  0.15  0.6  1.0
  Ir  Ir3  1  0.95  0.15  0.23  1.0

V Cu Ir Ir
V Cu Ir Ir 0 3 - o o 1 3 - o o 1 2 o o o 