data_[Zr2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2033]
_cell_length_b [2.8186]
_cell_length_c [6.6608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrIr5]
_chemical_formula_sum '[Zr2 Ir10]'
_cell_volume [185.5785]
_cell_formula_units_Z [2]
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
[
  Zr  Zr0  2  0.2202  0.5000  0.9456  1
  Ir  Ir1  2  0.0560  0.0000  0.6109  1
  Ir  Ir2  2  0.1689  0.5000  0.3422  1
  Ir  Ir3  2  0.3361  0.0000  0.6623  1
  Ir  Ir4  2  0.3899  0.0000  0.2745  1
  Ir  Ir5  2  0.4955  0.5000  0.9977  1
]