data_Ta2VIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VIr
_chemical_formula_sum   'Ta2 V1 Ir1'
_cell_volume   65.16
_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  0.8  0.0  0.06  1.0
  Ta  Ta2  1  0.8  0.0  0.05  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.05  1.0

data_Ta2VIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2VIr
_chemical_formula_sum   'Ta2 V1 Ir1'
_cell_volume   65.16
_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  0.8  0.0  0.05  1.0
  Ta  Ta1  1  0.8  0.0  0.06  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.05  1.0

Ta Ta V Ir
Ta Ta V Ir 0 1 o o o 2 3 o o o 