data_[Cr3Ni3H3Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.6872]
_cell_length_b [2.6872]
_cell_length_c [18.9778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CrNiHIr]
_chemical_formula_sum '[Cr3 Ni3 H3 Ir3]'
_cell_volume [118.6817]
_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
[
  Cr  Cr0  3  0.0000  0.0000  0.0475  1.0
  Ni  Ni1  3  0.0000  0.0000  0.6036  1.0
  H  H2  3  0.0000  0.0000  0.3222  1.0
  Ir  Ir3  3  0.0000  0.0000  0.8195  1.0
]