data_Sr2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   121.2
_cell_angle_beta   118.52
_cell_angle_gamma   90.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BiB
_chemical_formula_sum   'Sr2 Bi1 B1'
_cell_volume   119.87
_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  0.72  0.0  0.89  1.0
  Sr  Sr3  1  0.0  0.83  0.01  1.0
  Bi  Bi1  1  0.0  0.0  0.9  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sr2BiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   61.48
_cell_angle_beta   60.6
_cell_angle_gamma   60.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BiB
_chemical_formula_sum   'Sr2 Bi1 B1'
_cell_volume   119.87
_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  Sr0  1  -0.0  0.28  0.89  1.0
  Sr  Sr1  1  0.83  -0.0  0.18  1.0
  Bi  Bi2  1  -0.0  -0.0  0.9  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Sr Sr Bi B