data_Ba5Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Te
_chemical_formula_sum   'Ba5 Te1'
_cell_volume   308.9
_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  0.29  0.0  0.19  1.0
  Ba  Ba1  1  0.1  0.9  0.19  1.0
  Ba  Ba2  1  0.36  0.58  0.19  1.0
  Ba  Ba3  1  0.74  0.16  0.0  1.0
  Ba  Ba4  1  0.0  0.32  0.0  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

data_Ba5Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   7.48
_cell_length_c   7.48
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5Te
_chemical_formula_sum   'Ba5 Te1'
_cell_volume   308.9
_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  0.74  0.16  1.0
  Ba  Ba1  1  0.0  -0.0  0.32  1.0
  Ba  Ba2  1  0.19  0.1  0.9  1.0
  Ba  Ba3  1  0.19  0.29  0.0  1.0
  Ba  Ba4  1  0.19  0.36  0.58  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

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