data_[Be2Ge2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.8900]
_cell_length_b [3.0000]
_cell_length_c [8.5170]
_cell_angle_alpha [81.4210]
_cell_angle_beta [88.2735]
_cell_angle_gamma [84.3005]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BeGeB]
_chemical_formula_sum '[Be2 Ge2 B2]'
_cell_volume [72.6459]
_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
[
  Be  Be0  2  0.2474  0.5399  0.8933  1
  Ge  Ge1  2  0.2330  0.8451  0.3199  1
  B  B2  2  0.2471  0.9737  0.0538  1
]