data_BSb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   29.42
_cell_angle_beta   29.42
_cell_angle_gamma   29.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb2Te
_chemical_formula_sum   'B1 Sb2 Te1'
_cell_volume   90.48
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.66  1.0
  Sb  Sb2  1  0.0  0.0  0.88  1.0
  Te  Te3  1  0.0  0.0  0.77  1.0

data_BSb2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   3.81
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BSb2Te
_chemical_formula_sum   'B2 Sb4 Te2'
_cell_volume   180.97
_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
  B  B0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.12  1.0
  Sb  Sb2  2  0.0  0.0  0.34  1.0
  Te  Te3  2  0.0  0.0  0.23  1.0

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