data_InSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   144.94
_cell_angle_beta   144.94
_cell_angle_gamma   50.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2B
_chemical_formula_sum   'In1 Si2 B1'
_cell_volume   65.49
_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
  In  In1  1  0.0  0.0  0.29  1.0
  Si  Si2  1  0.0  0.76  0.64  1.0
  Si  Si3  1  0.76  0.0  0.64  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_InSi2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   115.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSi2B
_chemical_formula_sum   'In2 Si4 B2'
_cell_volume   130.99
_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
  In  In0  2  0.0  0.0  0.71  1.0
  Si  Si1  4  0.38  0.62  0.12  1.0
  B  B2  2  0.0  0.0  0.0  1.0

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