data_BaZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.25
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnIr2
_chemical_formula_sum   'Ba1 Zn1 Ir2'
_cell_volume   86.53
_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  0.87  0.12  0.12  1.0
  Zn  Zn3  1  0.37  0.0  0.97  1.0
  Ir  Ir1  1  0.01  0.0  0.77  1.0
  Ir  Ir2  1  0.59  0.12  0.36  1.0

data_BaZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.25
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnIr2
_chemical_formula_sum   'Ba1 Zn1 Ir2'
_cell_volume   86.53
_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  0.87  0.12  0.12  1.0
  Zn  Zn1  1  0.37  0.0  0.97  1.0
  Ir  Ir2  1  0.01  0.0  0.77  1.0
  Ir  Ir3  1  0.59  0.12  0.36  1.0

Ba Zn Ir Ir