data_BeSnGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSnGe2
_chemical_formula_sum   'Be1 Sn1 Ge2'
_cell_volume   78.13
_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  0.0  0.59  1.0
  Sn  Sn3  1  0.68  0.68  0.86  1.0
  Ge  Ge1  1  0.68  0.68  0.7  1.0
  Ge  Ge2  1  0.0  0.0  0.14  1.0

data_BeSnGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeSnGe2
_chemical_formula_sum   'Be2 Sn2 Ge4'
_cell_volume   156.27
_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  0.59  1.0
  Sn  Sn1  2  0.18  0.5  0.86  1.0
  Ge  Ge2  2  0.0  0.0  0.14  1.0
  Ge  Ge3  2  0.18  0.5  0.7  1.0

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