data_Ta2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.15
_cell_angle_alpha   97.34
_cell_angle_beta   97.34
_cell_angle_gamma   35.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcIr
_chemical_formula_sum   'Ta2 Tc1 Ir1'
_cell_volume   65.97
_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  0.61  0.0  0.26  1.0
  Ta  Ta2  1  0.67  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.14  0.0  0.55  1.0

data_Ta2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.71
_cell_length_c   5.15
_cell_angle_alpha   97.34
_cell_angle_beta   90.0
_cell_angle_gamma   107.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcIr
_chemical_formula_sum   'Ta2 Tc1 Ir1'
_cell_volume   65.97
_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  0.33  0.16  1.0
  Ta  Ta1  1  0.0  0.39  0.74  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.86  0.45  1.0

Ta Ta Tc Ir