data_[Ga2Ge2B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5944]
_cell_length_b [4.9620]
_cell_length_c [6.4912]
_cell_angle_alpha [102.3130]
_cell_angle_beta [97.2964]
_cell_angle_gamma [104.7427]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaGeB]
_chemical_formula_sum '[Ga2 Ge2 B2]'
_cell_volume [107.3539]
_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  0.2458  0.2436  0.9455  1
  Ga  Ga1  1  0.8482  0.5898  0.4886  1
  Ge  Ge2  1  0.0451  0.0177  0.3304  1
  Ge  Ge3  1  0.4623  0.6716  0.7908  1
  B  B4  1  0.5900  0.1913  0.2608  1
  B  B5  1  0.7051  0.0531  0.0209  1
]