data_[Ba2Be2Ge2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0342]
_cell_length_b [5.4449]
_cell_length_c [5.1596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaBeGeO4]
_chemical_formula_sum '[Ba2 Be2 Ge2 O8]'
_cell_volume [209.4679]
_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
[
  Ba  Ba0  2  0.0226  0.0000  0.0305  1.0
  Be  Be1  2  0.2464  0.5000  0.2619  1.0
  Ge  Ge2  2  0.4999  0.0000  0.5144  1.0
  O  O3  4  0.3660  0.2587  0.4578  1.0
  O  O4  2  0.0557  0.5000  0.2358  1.0
  O  O5  2  0.1944  0.5000  0.9025  1.0
]