data_Ta2VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   143.63
_cell_angle_beta   128.79
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VIr
_chemical_formula_sum   'Ta2 V1 Ir1'
_cell_volume   64.22
_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  0.62  0.0  0.18  1.0
  Ta  Ta2  1  0.0  0.25  0.22  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.4  1.0

data_Ta2VIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.5
_cell_length_c   5.2
_cell_angle_alpha   115.6
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VIr
_chemical_formula_sum   'Ta2 V1 Ir1'
_cell_volume   64.22
_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  Ta0  1  0.0  0.18  0.56  1.0
  Ta  Ta1  1  0.75  0.97  0.97  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.4  0.4  1.0

Ta Ta V Ir