data_BeGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   32.42
_cell_angle_beta   32.42
_cell_angle_gamma   32.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2B
_chemical_formula_sum   'Be1 Ge2 B1'
_cell_volume   54.82
_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
  Be  Be1  1  0.0  0.0  0.36  1.0
  Ge  Ge2  1  0.0  0.0  0.38  1.0
  Ge  Ge3  1  0.0  0.0  0.65  1.0
  B  B0  1  0.0  0.0  0.11  1.0

data_BeGe2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.34
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   108.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGe2B
_chemical_formula_sum   'Be2 Ge4 B2'
_cell_volume   109.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.64  1.0
  Ge  Ge1  2  0.0  0.0  0.35  1.0
  Ge  Ge2  2  0.0  0.0  0.62  1.0
  B  B3  2  0.0  0.0  0.89  1.0

Be Ge Ge B
Be Ge Ge B 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 