data_VAs2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   20.62
_cell_angle_beta   20.62
_cell_angle_gamma   20.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAs2Ir
_chemical_formula_sum   'V1 As2 Ir1'
_cell_volume   60.51
_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
  As  As0  1  0.0  0.0  0.07  1.0
  As  As1  1  0.0  0.0  0.09  1.0
  Ir  Ir2  1  0.0  0.0  0.08  1.0

data_VAs2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.95
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   101.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VAs2Ir
_chemical_formula_sum   'V2 As4 Ir2'
_cell_volume   121.01
_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
  V  V0  2  0.0  0.0  0.0  1.0
  As  As1  2  0.0  0.0  0.91  1.0
  As  As2  2  0.0  0.0  0.93  1.0
  Ir  Ir3  2  0.0  0.0  0.92  1.0

V As As Ir