data_ScSnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   5.34
_cell_angle_alpha   109.4
_cell_angle_beta   109.4
_cell_angle_gamma   59.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnB2
_chemical_formula_sum   'Sc1 Sn1 B2'
_cell_volume   58.4
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.18  0.0  0.47  1.0
  B  B0  1  0.28  0.0  0.22  1.0
  B  B1  1  0.08  0.0  0.71  1.0

data_ScSnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.7
_cell_length_c   5.34
_cell_angle_alpha   109.4
_cell_angle_beta   90.0
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnB2
_chemical_formula_sum   'Sc1 Sn1 B2'
_cell_volume   58.4
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.82  0.53  1.0
  B  B2  1  0.0  0.72  0.78  1.0
  B  B3  1  0.0  0.92  0.29  1.0

Sc Sn B B
Sc Sn B B 0 2 o o o 0 3 o o - 1 3 o o o 1 2 o o o 