data_B2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.46
_cell_angle_alpha   116.65
_cell_angle_beta   116.65
_cell_angle_gamma   90.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeCl
_chemical_formula_sum   'B2 Te1 Cl1'
_cell_volume   73.25
_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  0.63  0.63  0.0  1.0
  B  B1  1  0.63  0.37  0.0  1.0
  Te  Te3  1  0.26  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_B2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   90.13
_cell_angle_beta   116.65
_cell_angle_gamma   116.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeCl
_chemical_formula_sum   'B2 Te1 Cl1'
_cell_volume   73.25
_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  0.63  0.63  1.0
  B  B1  1  0.0  0.63  0.37  1.0
  Te  Te2  1  0.0  0.26  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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