data_[Ge4B2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0646]
_cell_length_b [4.9757]
_cell_length_c [6.3172]
_cell_angle_alpha [80.4634]
_cell_angle_beta [84.9422]
_cell_angle_gamma [79.4853]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ge2BIr]
_chemical_formula_sum '[Ge4 B2 Ir2]'
_cell_volume [123.6560]
_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
[
  Ge  Ge0  1  0.0507  0.7549  0.7884  1
  Ge  Ge1  1  0.1685  0.1746  0.0328  1
  Ge  Ge2  1  0.3870  0.2619  0.5018  1
  Ge  Ge3  1  0.6846  0.7813  0.4219  1
  B  B4  1  0.7530  0.5770  0.1049  1
  B  B5  1  0.9577  0.1729  0.6823  1
  Ir  Ir6  1  0.2230  0.6535  0.1922  1
  Ir  Ir7  1  0.6069  0.4517  0.8259  1
]