data_B2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   156.8
_cell_angle_beta   156.76
_cell_angle_gamma   33.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeSe
_chemical_formula_sum   'B2 Te1 Se1'
_cell_volume   80.51
_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  0.25  1.0
  B  B1  1  0.62  0.0  0.47  1.0
  Te  Te3  1  0.0  0.62  0.83  1.0
  Se  Se2  1  0.0  0.0  0.86  1.0

data_B2TeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.24
_cell_length_c   8.03
_cell_angle_alpha   101.62
_cell_angle_beta   101.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeSe
_chemical_formula_sum   'B2 Te1 Se1'
_cell_volume   80.51
_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  0.25  0.25  1.0
  B  B1  1  0.0  0.47  0.85  1.0
  Te  Te2  1  0.38  0.21  0.21  1.0
  Se  Se3  1  0.0  0.86  0.86  1.0

B B Te Se