data_SrY2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   150.66
_cell_angle_beta   130.96
_cell_angle_gamma   58.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2B
_chemical_formula_sum   'Sr1 Y2 B1'
_cell_volume   112.55
_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
  Sr  Sr1  1  0.0  0.0  0.89  1.0
  Y  Y2  1  0.71  0.0  1.0  1.0
  Y  Y3  1  0.0  0.8  0.89  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrY2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.6
_cell_length_c   6.74
_cell_angle_alpha   114.52
_cell_angle_beta   104.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2B
_chemical_formula_sum   'Sr1 Y2 B1'
_cell_volume   112.55
_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
  Sr  Sr0  1  0.11  0.11  0.11  1.0
  Y  Y1  1  0.11  0.9  0.9  1.0
  Y  Y2  1  0.71  0.0  0.71  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Sr Y Y B
Sr Y Y B 0 3 o o + 1 2 + - o 1 3 + o + 2 3 o + + 