data_VAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   147.35
_cell_angle_beta   129.02
_cell_angle_gamma   61.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAsIr2
_chemical_formula_sum   'V1 As1 Ir2'
_cell_volume   57.67
_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  0.64  1.0
  As  As0  1  0.0  0.23  0.22  1.0
  Ir  Ir1  1  0.0  0.0  0.63  1.0
  Ir  Ir2  1  0.46  0.0  0.28  1.0

data_VAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.46
_cell_length_c   5.18
_cell_angle_alpha   115.49
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAsIr2
_chemical_formula_sum   'V1 As1 Ir2'
_cell_volume   57.67
_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  0.36  0.36  0.36  1.0
  As  As1  1  0.78  0.01  0.01  1.0
  Ir  Ir2  1  0.18  0.72  0.18  1.0
  Ir  Ir3  1  0.37  0.37  0.37  1.0

V As Ir Ir