data_VMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMoIr2
_chemical_formula_sum   'V1 Mo1 Ir2'
_cell_volume   58.26
_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
  Mo  Mo2  1  0.75  0.0  0.0  1.0
  Ir  Ir0  1  0.38  0.92  0.38  1.0
  Ir  Ir1  1  0.38  0.08  0.38  1.0

data_VMoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   108.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VMoIr2
_chemical_formula_sum   'V1 Mo1 Ir2'
_cell_volume   58.26
_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
  Mo  Mo1  1  0.0  0.75  0.0  1.0
  Ir  Ir2  1  0.38  0.38  0.08  1.0
  Ir  Ir3  1  0.38  0.38  0.92  1.0

V Mo Ir Ir