data_AlV2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   17.46
_cell_angle_beta   17.46
_cell_angle_gamma   17.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Ir
_chemical_formula_sum   'Al1 V2 Ir1'
_cell_volume   56.89
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.0  0.59  1.0
  V  V3  1  0.0  0.0  0.93  1.0
  Ir  Ir1  1  0.0  0.0  0.26  1.0

data_AlV2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   2.73
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlV2Ir
_chemical_formula_sum   'Al2 V4 Ir2'
_cell_volume   113.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.07  1.0
  V  V2  2  0.0  0.0  0.41  1.0
  Ir  Ir3  2  0.0  0.0  0.74  1.0

Al V V Ir