data_BaInSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.71
_cell_length_c   3.76
_cell_angle_alpha   74.1
_cell_angle_beta   73.38
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInSi
_chemical_formula_sum   'Ba1 In1 Si1'
_cell_volume   87.39
_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  0.63  0.69  0.26  1.0
  In  In1  1  0.63  0.69  0.66  1.0
  Si  Si2  1  0.63  0.69  0.77  1.0

data_BaInSi
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.76
_cell_length_b   12.34
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaInSi
_chemical_formula_sum   'Ba2 In2 Si2'
_cell_volume   174.83
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.05  1.0
  In  In1  2  0.0  0.5  0.65  1.0
  Si  Si2  2  0.0  0.5  0.54  1.0

Ba In Si