data_[Y3Si1P2Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6532]
_cell_length_b [5.6532]
_cell_length_c [10.0560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Y3SiP2Ir9]
_chemical_formula_sum '[Y3 Si1 P2 Ir9]'
_cell_volume [278.3152]
_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
[
  Y  Y0  2  0.3333  0.6667  0.5794  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Si  Si2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.1621  1
  Ir  Ir4  6  0.1588  0.3175  0.3115  1
  Ir  Ir5  3  0.0000  0.5000  0.0000  1
]