data_BaTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   5.61
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   113.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTeCl2
_chemical_formula_sum   'Ba1 Te1 Cl2'
_cell_volume   137.48
_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  0.03  0.81  0.31  1.0
  Te  Te3  1  0.6  0.0  0.19  1.0
  Cl  Cl1  1  0.54  0.0  0.65  1.0
  Cl  Cl2  1  0.26  0.81  0.37  1.0

data_BaTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   5.45
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTeCl2
_chemical_formula_sum   'Ba1 Te1 Cl2'
_cell_volume   137.48
_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  0.97  0.69  0.19  1.0
  Te  Te1  1  0.4  0.81  0.0  1.0
  Cl  Cl2  1  0.46  0.35  0.0  1.0
  Cl  Cl3  1  0.74  0.63  0.19  1.0

Ba Te Cl Cl