data_VReIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReIr2
_chemical_formula_sum   'V1 Re1 Ir2'
_cell_volume   57.46
_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
  Re  Re2  1  0.73  0.0  0.0  1.0
  Ir  Ir0  1  0.36  0.93  0.37  1.0
  Ir  Ir1  1  0.36  0.07  0.37  1.0

data_VReIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   109.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReIr2
_chemical_formula_sum   'V1 Re1 Ir2'
_cell_volume   57.46
_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
  Re  Re1  1  0.0  0.73  0.0  1.0
  Ir  Ir2  1  0.37  0.36  0.07  1.0
  Ir  Ir3  1  0.37  0.36  0.93  1.0

V Re Ir Ir