data_BaSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   131.69
_cell_angle_beta   131.69
_cell_angle_gamma   70.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbTe2
_chemical_formula_sum   'Ba1 Sb1 Te2'
_cell_volume   131.67
_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  0.08  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.55  0.0  0.54  1.0
  Te  Te3  1  0.0  0.55  0.54  1.0

data_BaSbTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   125.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSbTe2
_chemical_formula_sum   'Ba2 Sb2 Te4'
_cell_volume   263.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.42  0.5  0.92  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Te  Te2  4  0.24  0.23  0.01  1.0

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