data_BaSr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   151.17
_cell_angle_beta   134.16
_cell_angle_gamma   55.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2B
_chemical_formula_sum   'Ba1 Sr2 B1'
_cell_volume   150.84
_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
  Ba  Ba1  1  0.0  0.0  0.74  1.0
  Sr  Sr2  1  0.89  0.0  0.2  1.0
  Sr  Sr3  1  0.0  0.96  0.53  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_BaSr2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.92
_cell_length_c   7.6
_cell_angle_alpha   112.92
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr2B
_chemical_formula_sum   'Ba1 Sr2 B1'
_cell_volume   150.84
_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
  Ba  Ba0  1  0.0  0.74  0.74  1.0
  Sr  Sr1  1  0.0  0.2  0.31  1.0
  Sr  Sr2  1  0.04  0.57  0.57  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ba Sr Sr B