data_BaGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.69
_cell_angle_alpha   108.86
_cell_angle_beta   108.86
_cell_angle_gamma   59.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2Ir
_chemical_formula_sum   'Ba1 Ge2 Ir1'
_cell_volume   97.41
_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  0.99  0.0  0.66  1.0
  Ge  Ge1  1  0.92  0.0  0.47  1.0
  Ge  Ge2  1  0.0  0.0  0.9  1.0
  Ir  Ir3  1  0.46  0.0  0.49  1.0

data_BaGe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.27
_cell_length_c   6.67
_cell_angle_alpha   71.54
_cell_angle_beta   71.57
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe2Ir
_chemical_formula_sum   'Ba1 Ge2 Ir1'
_cell_volume   97.41
_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  0.33  0.66  1.0
  Ge  Ge1  1  0.0  0.1  0.9  1.0
  Ge  Ge2  1  0.0  0.45  0.47  1.0
  Ir  Ir3  1  0.0  0.97  0.49  1.0

Ba Ge Ge Ir