data_Ta2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.73
_cell_angle_alpha   113.95
_cell_angle_beta   113.95
_cell_angle_gamma   31.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GaIr
_chemical_formula_sum   'Ta2 Ga1 Ir1'
_cell_volume   66.04
_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  0.08  0.0  0.05  1.0
  Ta  Ta3  1  0.11  0.0  0.2  1.0
  Ga  Ga0  1  0.08  0.0  0.11  1.0
  Ir  Ir1  1  0.38  0.0  0.08  1.0

data_Ta2GaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.73
_cell_length_c   5.42
_cell_angle_alpha   113.95
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GaIr
_chemical_formula_sum   'Ta2 Ga1 Ir1'
_cell_volume   66.04
_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  0.05  0.08  1.0
  Ta  Ta1  1  0.0  0.2  0.11  1.0
  Ga  Ga2  1  0.0  0.11  0.08  1.0
  Ir  Ir3  1  0.0  0.08  0.38  1.0

Ta Ta Ga Ir
Ta Ta Ga Ir 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 