data_BaTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe5
_chemical_formula_sum   'Ba1 Te5'
_cell_volume   214.85
_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  0.0  0.0  1.0
  Te  Te1  1  0.53  0.0  0.26  1.0
  Te  Te2  1  0.44  0.49  0.26  1.0
  Te  Te3  1  0.74  0.92  0.26  1.0
  Te  Te4  1  0.7  0.14  0.0  1.0
  Te  Te5  1  0.0  0.28  0.0  1.0

data_BaTe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTe5
_chemical_formula_sum   'Ba1 Te5'
_cell_volume   214.85
_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  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.28  1.0
  Te  Te2  1  0.0  0.7  0.14  1.0
  Te  Te3  1  0.26  0.44  0.49  1.0
  Te  Te4  1  0.26  0.53  0.0  1.0
  Te  Te5  1  0.26  0.74  0.92  1.0

Ba Te Te Te Te Te