data_Be2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   132.66
_cell_angle_beta   124.87
_cell_angle_gamma   75.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SiGe
_chemical_formula_sum   'Be2 Si1 Ge1'
_cell_volume   50.07
_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  Be0  1  0.0  0.04  0.76  1.0
  Be  Be1  1  0.77  0.0  0.71  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.48  1.0

data_Be2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.07
_cell_length_c   4.4
_cell_angle_alpha   117.56
_cell_angle_beta   113.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2SiGe
_chemical_formula_sum   'Be2 Si1 Ge1'
_cell_volume   50.07
_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  Be0  1  0.05  0.29  0.05  1.0
  Be  Be1  1  0.24  0.27  0.27  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.52  0.52  0.52  1.0

Be Be Si Ge
Be Be Si Ge 0 1 - o o 0 3 o o o 0 2 o o + 1 2 + o + 