data_SrY2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.44
_cell_angle_alpha   119.54
_cell_angle_beta   119.54
_cell_angle_gamma   32.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2B
_chemical_formula_sum   'Sr1 Y2 B1'
_cell_volume   122.47
_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  0.79  0.0  0.91  1.0
  Y  Y2  1  0.81  0.0  0.48  1.0
  Y  Y3  1  0.12  0.0  0.05  1.0
  B  B0  1  0.8  0.0  0.85  1.0

data_SrY2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   6.42
_cell_length_c   6.44
_cell_angle_alpha   119.54
_cell_angle_beta   90.0
_cell_angle_gamma   106.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2B
_chemical_formula_sum   'Sr1 Y2 B1'
_cell_volume   122.47
_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  0.0  0.21  0.09  1.0
  Y  Y1  1  0.0  0.19  0.52  1.0
  Y  Y2  1  0.0  0.88  0.95  1.0
  B  B3  1  0.0  0.2  0.15  1.0

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