data_[Ge3Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.8989]
_cell_length_b [4.5066]
_cell_length_c [19.4793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ge3Ir2]
_chemical_formula_sum '[Ge3 Ir2]'
_cell_volume [254.4790]
_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
[
  Ge  Ge0  1  0.0000  0.5000  0.4391  1
  Ge  Ge1  1  0.5000  0.0000  0.3887  1
  Ge  Ge2  1  0.5000  0.0000  0.6187  1
  Ir  Ir3  1  0.0000  0.0000  0.5043  1
  Ir  Ir4  1  0.5000  0.5000  0.5491  1
]