data_Ta2MoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.59
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MoIr
_chemical_formula_sum   'Ta2 Mo1 Ir1'
_cell_volume   66.43
_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  Ta2  1  0.02  0.29  0.08  1.0
  Ta  Ta3  1  0.84  0.0  0.33  1.0
  Mo  Mo1  1  0.9  0.0  0.94  1.0
  Ir  Ir0  1  0.92  0.29  0.51  1.0

data_Ta2MoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.59
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MoIr
_chemical_formula_sum   'Ta2 Mo1 Ir1'
_cell_volume   66.43
_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  0.02  0.29  0.08  1.0
  Ta  Ta1  1  0.84  0.0  0.33  1.0
  Mo  Mo2  1  0.9  0.0  0.94  1.0
  Ir  Ir3  1  0.92  0.29  0.51  1.0

Ta Ta Mo Ir