data_BeGeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   32.2
_cell_angle_beta   32.2
_cell_angle_gamma   32.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGeSb2
_chemical_formula_sum   'Be1 Ge1 Sb2'
_cell_volume   85.63
_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  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.91  1.0
  Sb  Sb2  1  0.0  0.0  0.19  1.0
  Sb  Sb3  1  0.0  0.0  0.63  1.0

data_BeGeSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   3.87
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGeSb2
_chemical_formula_sum   'Be2 Ge2 Sb4'
_cell_volume   171.25
_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  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.09  1.0
  Sb  Sb2  2  0.0  0.0  0.37  1.0
  Sb  Sb3  2  0.0  0.0  0.81  1.0

Be Ge Sb Sb