data_Y2ScB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   148.87
_cell_angle_beta   133.83
_cell_angle_gamma   56.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScB
_chemical_formula_sum   'Y2 Sc1 B1'
_cell_volume   89.95
_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
  Y  Y2  1  0.0  0.0  0.97  1.0
  Y  Y3  1  0.0  0.45  0.08  1.0
  Sc  Sc1  1  0.67  0.0  0.53  1.0
  B  B0  1  0.0  0.0  0.38  1.0

data_Y2ScB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.89
_cell_length_c   6.24
_cell_angle_alpha   113.09
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScB
_chemical_formula_sum   'Y2 Sc1 B1'
_cell_volume   89.95
_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
  Y  Y0  1  0.03  0.03  0.03  1.0
  Y  Y1  1  0.92  0.37  0.37  1.0
  Sc  Sc2  1  0.15  0.47  0.15  1.0
  B  B3  1  0.62  0.62  0.62  1.0

Y Y Sc B