data_SrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   4.29
_cell_angle_alpha   96.9
_cell_angle_beta   96.9
_cell_angle_gamma   40.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB
_chemical_formula_sum   'Sr2 B2'
_cell_volume   94.29
_cell_formula_units_Z   2
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  Sr2  1  0.99  0.0  0.34  1.0
  Sr  Sr3  1  0.35  0.0  0.92  1.0
  B  B0  1  0.75  0.0  0.64  1.0
  B  B1  1  0.59  0.0  0.61  1.0

data_SrB
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.07
_cell_length_b   4.29
_cell_length_c   5.81
_cell_angle_alpha   96.9
_cell_angle_beta   110.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrB
_chemical_formula_sum   'Sr2 B2'
_cell_volume   94.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.21  0.82  1.0
  B  B1  2  0.0  0.48  0.42  1.0

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