data_Sr2HfB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.4
_cell_length_b   10.4
_cell_length_c   10.4
_cell_angle_alpha   19.67
_cell_angle_beta   19.67
_cell_angle_gamma   19.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfB
_chemical_formula_sum   'Sr2 Hf1 B1'
_cell_volume   111.38
_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  Sr2  1  0.0  0.0  0.36  1.0
  Sr  Sr3  1  0.0  0.0  0.22  1.0
  Hf  Hf1  1  0.0  0.0  0.29  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sr2HfB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.15
_cell_length_b   3.55
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HfB
_chemical_formula_sum   'Sr4 Hf2 B2'
_cell_volume   222.76
_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  2  0.0  0.0  0.64  1.0
  Sr  Sr1  2  0.0  0.0  0.78  1.0
  Hf  Hf2  2  0.0  0.0  0.71  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Sr Sr Hf B