data_Sr2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.88
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InB
_chemical_formula_sum   'Sr2 In1 B1'
_cell_volume   120.03
_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  0.66  0.94  0.21  1.0
  Sr  Sr3  1  0.17  0.94  0.67  1.0
  In  In1  1  0.95  0.0  0.94  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Sr2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.93
_cell_length_c   7.88
_cell_angle_alpha   90.69
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2InB
_chemical_formula_sum   'Sr2 In1 B1'
_cell_volume   120.03
_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  0.06  0.34  0.79  1.0
  Sr  Sr1  1  0.06  0.83  0.33  1.0
  In  In2  1  0.0  0.05  0.06  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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