data_BTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   8.12
_cell_angle_alpha   24.97
_cell_angle_beta   24.97
_cell_angle_gamma   24.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BTe2Cl
_chemical_formula_sum   'B1 Te2 Cl1'
_cell_volume   84.01
_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
  Te  Te2  1  0.0  0.0  0.38  1.0
  Te  Te3  1  0.0  0.0  0.21  1.0
  Cl  Cl1  1  0.0  0.0  0.8  1.0

data_BTe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   3.51
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   104.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BTe2Cl
_chemical_formula_sum   'B2 Te4 Cl2'
_cell_volume   168.02
_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
  Te  Te1  2  0.0  0.0  0.62  1.0
  Te  Te2  2  0.0  0.0  0.79  1.0
  Cl  Cl3  2  0.0  0.0  0.2  1.0

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