data_Sr2YB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.74
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YB
_chemical_formula_sum   'Sr2 Y1 B1'
_cell_volume   131.55
_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  0.29  0.87  0.6  1.0
  Sr  Sr2  1  0.3  0.0  0.08  1.0
  Y  Y3  1  0.22  0.87  0.45  1.0
  B  B0  1  0.21  0.0  0.22  1.0

data_Sr2YB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.95
_cell_length_c   9.1
_cell_angle_alpha   102.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YB
_chemical_formula_sum   'Sr2 Y1 B1'
_cell_volume   131.55
_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  0.0  0.7  0.92  1.0
  Sr  Sr1  1  0.13  0.71  0.4  1.0
  Y  Y2  1  0.13  0.78  0.55  1.0
  B  B3  1  0.0  0.79  0.78  1.0

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