data_BaSi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   132.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Cl
_chemical_formula_sum   'Ba1 Si2 Cl1'
_cell_volume   122.87
_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
  Ba  Ba0  1  0.73  0.0  0.0  1.0
  Si  Si2  1  0.36  0.08  0.83  1.0
  Si  Si3  1  0.36  0.92  0.83  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BaSi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.45
_cell_length_c   6.73
_cell_angle_alpha   113.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Cl
_chemical_formula_sum   'Ba1 Si2 Cl1'
_cell_volume   122.87
_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
  Ba  Ba0  1  0.0  0.0  0.73  1.0
  Si  Si1  1  0.83  0.08  0.44  1.0
  Si  Si2  1  0.83  0.92  0.29  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ba Si Si Cl
Ba Si Si Cl 0 2 o - - 0 3 + o o 1 2 o - o 1 3 o o + 