data_Ga2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.81
_cell_length_c   3.69
_cell_angle_alpha   72.3
_cell_angle_beta   70.86
_cell_angle_gamma   36.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SnB
_chemical_formula_sum   'Ga2 Sn1 B1'
_cell_volume   70.83
_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
  Ga  Ga1  1  0.0  0.33  0.61  1.0
  Ga  Ga2  1  0.55  0.33  0.61  1.0
  Sn  Sn3  1  0.55  0.66  0.22  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ga2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   5.81
_cell_angle_alpha   107.7
_cell_angle_beta   107.7
_cell_angle_gamma   92.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2SnB
_chemical_formula_sum   'Ga2 Sn1 B1'
_cell_volume   70.83
_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
  Ga  Ga0  1  0.61  0.0  0.67  1.0
  Ga  Ga1  1  0.61  0.45  0.12  1.0
  Sn  Sn2  1  0.22  0.45  0.79  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ga Ga Sn B