data_Sr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2B
_chemical_formula_sum   'Sr4 B2'
_cell_volume   166.45
_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  0.0  0.0  0.03  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sr  Sr4  1  0.44  0.41  0.01  1.0
  Sr  Sr5  1  0.0  0.82  0.04  1.0
  B  B0  1  0.44  0.41  0.04  1.0
  B  B1  1  0.0  0.82  0.01  1.0

data_Sr2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2B
_chemical_formula_sum   'Sr4 B2'
_cell_volume   166.45
_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  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.0  0.03  1.0
  Sr  Sr2  1  0.0  0.82  0.04  1.0
  Sr  Sr3  1  0.44  0.41  0.01  1.0
  B  B4  1  0.0  0.82  0.01  1.0
  B  B5  1  0.44  0.41  0.04  1.0

Sr Sr Sr Sr B B
Sr Sr Sr Sr B B 0 1 o o o 2 4 o o o 3 5 o o o 