data_[Zr4Ge2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4918]
_cell_length_b [4.0169]
_cell_length_c [7.5481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2GeIr]
_chemical_formula_sum '[Zr4 Ge2 Ir2]'
_cell_volume [155.3718]
_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  0.2030  0.2500  0.4367  1
  Zr  Zr1  2  0.2223  0.2500  0.9145  1
  Ge  Ge2  2  0.3237  0.7500  0.2063  1
  Ir  Ir3  2  0.3388  0.7500  0.7074  1
]