data_SrInB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   38.8
_cell_angle_beta   38.8
_cell_angle_gamma   38.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrInB2
_chemical_formula_sum   'Sr1 In1 B2'
_cell_volume   73.9
_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  Sr3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.23  1.0
  B  B0  1  0.0  0.0  0.62  1.0
  B  B1  1  0.0  0.0  0.84  1.0

data_SrInB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.83
_cell_length_b   3.94
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   112.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrInB2
_chemical_formula_sum   'Sr2 In2 B4'
_cell_volume   147.81
_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  0.0  1.0
  In  In1  2  0.0  0.0  0.77  1.0
  B  B2  2  0.0  0.0  0.16  1.0
  B  B3  2  0.0  0.0  0.38  1.0

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