data_[Ba1Sr1Cd1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3058]
_cell_length_b [5.3058]
_cell_length_c [5.4676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BaSrCdIr]
_chemical_formula_sum '[Ba1 Sr1 Cd1 Ir1]'
_cell_volume [133.2995]
_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  0.3333  0.6667  0.2578  1.0
  Sr  Sr1  1  0.0000  0.0000  0.6447  1.0
  Cd  Cd2  1  0.6667  0.3333  0.9436  1.0
  Ir  Ir3  1  0.6667  0.3333  0.4477  1.0
]