data_[Ga2Ge2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3375]
_cell_length_b [6.1385]
_cell_length_c [6.4079]
_cell_angle_alpha [102.7058]
_cell_angle_beta [108.4698]
_cell_angle_gamma [101.3838]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaGeSb]
_chemical_formula_sum '[Ga2 Ge2 Sb2]'
_cell_volume [151.1445]
_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
[
  Ga  Ga0  1  0.0727  0.8406  0.9667  1
  Ga  Ga1  1  0.7025  0.3860  0.1959  1
  Ge  Ge2  1  0.7181  0.9783  0.1908  1
  Ge  Ge3  1  0.9640  0.0547  0.6332  1
  Sb  Sb4  1  0.3852  0.6272  0.4149  1
  Sb  Sb5  1  0.6406  0.3773  0.7563  1
]