data_V2CuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   131.82
_cell_angle_beta   131.82
_cell_angle_gamma   70.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuIr
_chemical_formula_sum   'V2 Cu1 Ir1'
_cell_volume   53.58
_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  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.88  0.0  0.89  1.0
  Cu  Cu0  1  0.0  0.0  0.77  1.0
  Ir  Ir1  1  0.0  0.88  0.89  1.0

data_V2CuIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   4.62
_cell_angle_alpha   114.09
_cell_angle_beta   114.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuIr
_chemical_formula_sum   'V2 Cu1 Ir1'
_cell_volume   53.58
_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
  V  V1  1  0.11  0.0  1.0  1.0
  Cu  Cu2  1  0.23  0.0  0.23  1.0
  Ir  Ir3  1  1.0  0.88  1.0  1.0

V V Cu Ir