data_BaAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.37
_cell_angle_alpha   94.48
_cell_angle_beta   94.48
_cell_angle_gamma   49.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsCl2
_chemical_formula_sum   'Ba1 As1 Cl2'
_cell_volume   122.06
_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  Ba1  1  0.76  0.0  0.68  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.92  0.0  0.46  1.0
  Cl  Cl3  1  0.61  0.0  0.89  1.0

data_BaAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   5.37
_cell_length_c   5.49
_cell_angle_alpha   94.48
_cell_angle_beta   114.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsCl2
_chemical_formula_sum   'Ba1 As1 Cl2'
_cell_volume   122.06
_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  0.68  0.76  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.46  0.92  1.0
  Cl  Cl3  1  0.0  0.89  0.61  1.0

Ba As Cl Cl