data_B2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   152.14
_cell_angle_beta   151.85
_cell_angle_gamma   40.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeP
_chemical_formula_sum   'B2 Te1 P1'
_cell_volume   57.9
_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  0.05  1.0
  B  B1  1  0.54  0.0  0.43  1.0
  Te  Te3  1  0.0  0.56  0.4  1.0
  P  P2  1  0.0  0.0  0.16  1.0

data_B2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.12
_cell_length_c   6.41
_cell_angle_alpha   104.08
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2TeP
_chemical_formula_sum   'B2 Te1 P1'
_cell_volume   57.9
_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  0.05  0.05  1.0
  B  B1  1  0.0  0.43  0.89  1.0
  Te  Te2  1  0.44  0.84  0.84  1.0
  P  P3  1  0.0  0.16  0.16  1.0

B B Te P
B B Te P 0 3 o o o 0 1 o o o 0 1 - o - 0 2 o - - 0 2 o o o 1 3 o o o 1 2 + - o 1 2 + o + 1 2 o - - 2 3 o o o 