data_BaSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   137.65
_cell_angle_beta   119.57
_cell_angle_gamma   76.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbTe2
_chemical_formula_sum   'Ba1 Sb1 Te2'
_cell_volume   140.86
_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  0.92  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.27  0.0  0.03  1.0
  Te  Te3  1  0.0  0.16  0.9  1.0

data_BaSbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   60.43
_cell_angle_beta   68.82
_cell_angle_gamma   68.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbTe2
_chemical_formula_sum   'Ba1 Sb1 Te2'
_cell_volume   140.86
_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  0.0  0.08  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.76  0.27  0.97  1.0
  Te  Te3  1  0.9  -0.0  0.26  1.0

Ba Sb Te Te
Ba Sb Te Te 0 1 o o + 0 2 o o + 0 3 o o o 1 2 o o o 