data_[Cr1Ge1B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6505]
_cell_length_b [4.6586]
_cell_length_c [5.5265]
_cell_angle_alpha [67.5188]
_cell_angle_beta [88.4093]
_cell_angle_gamma [61.5248]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrGe(BO3)2]
_chemical_formula_sum '[Cr1 Ge1 B2 O6]'
_cell_volume [95.4729]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  1  0.5000  0.0000  0.5000  1.0
  B  B2  2  0.2191  0.5410  0.7162  1.0
  O  O3  2  0.0837  0.1920  0.2682  1.0
  O  O4  2  0.2503  0.2233  0.7286  1.0
  O  O5  2  0.4955  0.5778  0.7138  1.0
]