data_Ba2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   9.93
_cell_angle_alpha   115.93
_cell_angle_beta   115.93
_cell_angle_gamma   38.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Te
_chemical_formula_sum   'Ba4 Te2'
_cell_volume   280.84
_cell_formula_units_Z   2
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  0.8  0.0  0.6  1.0
  Ba  Ba1  1  0.36  0.0  0.86  1.0
  Ba  Ba2  1  0.63  0.0  0.94  1.0
  Ba  Ba3  1  0.19  0.0  0.21  1.0
  Te  Te4  1  0.42  0.0  0.53  1.0
  Te  Te5  1  0.57  0.0  0.27  1.0

data_Ba2Te
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.7
_cell_length_b   7.19
_cell_length_c   9.37
_cell_angle_alpha   72.32
_cell_angle_beta   75.49
_cell_angle_gamma   70.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba2Te
_chemical_formula_sum   'Ba4 Te2'
_cell_volume   280.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.11  0.2  1.0
  Ba  Ba1  2  0.0  0.41  0.46  1.0
  Te  Te2  2  0.0  0.2  0.87  1.0

Ba Ba Ba Ba Te Te
Ba Ba Ba Ba Te Te 0 5 o o o 0 4 o o o 1 2 o o o 3 5 o o o 3 4 o o o 