data_HfSnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   141.5
_cell_angle_beta   141.5
_cell_angle_gamma   55.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnB2
_chemical_formula_sum   'Hf1 Sn1 B2'
_cell_volume   56.21
_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
  Hf  Hf2  1  0.74  0.0  0.33  1.0
  Sn  Sn3  1  0.0  0.0  0.66  1.0
  B  B0  1  0.0  0.74  0.33  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_HfSnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   5.27
_cell_angle_alpha   109.25
_cell_angle_beta   109.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnB2
_chemical_formula_sum   'Hf1 Sn1 B2'
_cell_volume   56.21
_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
  Hf  Hf0  1  0.67  0.0  0.41  1.0
  Sn  Sn1  1  0.34  0.0  0.34  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.41  0.74  0.41  1.0

Hf Sn B B
Hf Sn B B 0 2 + - o 0 1 + o o 1 2 o - o 1 3 o o + 