data_TaCr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   131.9
_cell_angle_beta   131.9
_cell_angle_gamma   70.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Ir
_chemical_formula_sum   'Ta1 Cr2 Ir1'
_cell_volume   56.71
_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  Ta3  1  0.0  0.0  0.85  1.0
  Cr  Cr0  1  0.0  0.92  0.92  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.92  0.0  0.92  1.0

data_TaCr2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.71
_cell_angle_alpha   114.05
_cell_angle_beta   114.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Ir
_chemical_formula_sum   'Ta1 Cr2 Ir1'
_cell_volume   56.71
_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  0.15  0.0  0.15  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.99  0.92  0.99  1.0
  Ir  Ir3  1  0.08  0.0  0.99  1.0

Ta Cr Cr Ir