data_[Nd3Y3Ir3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0715]
_cell_length_b [4.0715]
_cell_length_c [22.7648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdYIrCl]
_chemical_formula_sum '[Nd3 Y3 Ir3 Cl3]'
_cell_volume [326.8193]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  3  0.0000  0.0000  0.3555  1.0
  Y  Y1  3  0.0000  0.0000  0.1541  1.0
  Ir  Ir2  3  0.0000  0.0000  0.7568  1.0
  Cl  Cl3  3  0.0000  0.0000  0.5817  1.0
]