data_Sr2ZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   28.96
_cell_angle_beta   28.96
_cell_angle_gamma   28.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnB
_chemical_formula_sum   'Sr2 Zn1 B1'
_cell_volume   124.75
_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  0.0  0.46  1.0
  Sr  Sr2  1  0.0  0.0  0.78  1.0
  Zn  Zn3  1  0.0  0.0  0.12  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sr2ZnB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.31
_cell_length_b   4.22
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ZnB
_chemical_formula_sum   'Sr4 Zn2 B2'
_cell_volume   249.51
_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  0.22  1.0
  Sr  Sr1  2  0.0  0.0  0.54  1.0
  Zn  Zn2  2  0.0  0.0  0.88  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Sr Sr Zn B
Sr Sr Zn B 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 