data_BaInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   6.17
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   112.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCl2
_chemical_formula_sum   'Ba1 In1 Cl2'
_cell_volume   148.06
_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  0.92  0.08  0.98  1.0
  In  In3  1  0.48  0.0  0.21  1.0
  Cl  Cl1  1  0.84  0.0  0.37  1.0
  Cl  Cl2  1  0.41  0.08  0.03  1.0

data_BaInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   5.5
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCl2
_chemical_formula_sum   'Ba1 In1 Cl2'
_cell_volume   148.06
_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  0.08  0.02  0.92  1.0
  In  In1  1  0.52  0.79  0.0  1.0
  Cl  Cl2  1  0.16  0.63  0.0  1.0
  Cl  Cl3  1  0.59  0.97  0.92  1.0

Ba In Cl Cl