data_BaGaIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   151.71
_cell_angle_beta   128.39
_cell_angle_gamma   59.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaIr2
_chemical_formula_sum   'Ba1 Ga1 Ir2'
_cell_volume   84.75
_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
  Ba  Ba0  1  0.5  0.0  0.3  1.0
  Ga  Ga1  1  0.0  0.0  0.46  1.0
  Ir  Ir2  1  0.0  0.67  0.29  1.0
  Ir  Ir3  1  0.0  0.0  0.17  1.0

data_BaGaIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.33
_cell_length_c   6.13
_cell_angle_alpha   115.81
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaIr2
_chemical_formula_sum   'Ba1 Ga1 Ir2'
_cell_volume   84.75
_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
  Ba  Ba0  1  0.0  0.3  0.8  1.0
  Ga  Ga1  1  0.0  0.46  0.46  1.0
  Ir  Ir2  1  0.0  0.17  0.17  1.0
  Ir  Ir3  1  0.33  0.63  0.63  1.0

Ba Ga Ir Ir