data_SnGe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   144.24
_cell_angle_beta   144.24
_cell_angle_gamma   51.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGe2B
_chemical_formula_sum   'Sn1 Ge2 B1'
_cell_volume   74.1
_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
  Sn  Sn3  1  0.0  0.0  0.42  1.0
  Ge  Ge1  1  0.85  0.0  0.71  1.0
  Ge  Ge2  1  0.0  0.85  0.71  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SnGe2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   115.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnGe2B
_chemical_formula_sum   'Sn2 Ge4 B2'
_cell_volume   148.21
_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
  Sn  Sn0  2  0.42  0.0  0.42  1.0
  Ge  Ge1  4  0.29  0.42  0.86  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Sn Ge Ge B