data_Sr4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.0
_cell_length_b   11.0
_cell_length_c   11.0
_cell_angle_alpha   156.2
_cell_angle_beta   156.2
_cell_angle_gamma   33.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4B
_chemical_formula_sum   'Sr4 B1'
_cell_volume   216.41
_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  0.27  0.26  1.0
  Sr  Sr2  1  0.27  0.0  0.26  1.0
  Sr  Sr3  1  0.0  0.0  0.81  1.0
  Sr  Sr4  1  0.0  0.0  0.23  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sr4B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr4B
_chemical_formula_sum   'Sr8 B2'
_cell_volume   432.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.13  0.13  0.99  1.0
  Sr  Sr1  2  0.23  0.0  0.23  1.0
  Sr  Sr2  2  0.31  0.5  0.81  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Sr Sr Sr Sr B
Sr Sr Sr Sr B 0 4 o o o 0 2 o o - 0 3 o o o 1 4 o o o 1 2 o o - 1 3 o o o 2 4 o o + 3 4 o o o 