data_TaV2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.16
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Ir
_chemical_formula_sum   'Ta1 V2 Ir1'
_cell_volume   59.28
_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
  Ta  Ta1  1  0.0  0.0  0.71  1.0
  V  V2  1  0.51  0.58  0.1  1.0
  V  V3  1  0.0  0.0  0.47  1.0
  Ir  Ir0  1  0.51  0.58  0.04  1.0

data_TaV2Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   3.02
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaV2Ir
_chemical_formula_sum   'Ta1 V2 Ir1'
_cell_volume   59.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ta  Ta0  1  0.0  0.0  0.71  1.0
  V  V1  1  0.0  0.0  0.47  1.0
  V  V2  1  0.58  0.5  0.1  1.0
  Ir  Ir3  1  0.58  0.5  0.04  1.0

Ta V V Ir