data_B6Te2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   109.57
_cell_angle_beta   109.57
_cell_angle_gamma   109.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B6Te2P
_chemical_formula_sum   'B6 Te2 P1'
_cell_volume   123.02
_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  0.86  1.0
  B  B1  1  0.0  0.0  0.42  1.0
  B  B2  1  0.88  0.13  0.0  1.0
  B  B3  1  0.25  0.0  0.14  1.0
  B  B4  1  0.13  0.88  0.0  1.0
  B  B5  1  0.0  0.25  0.14  1.0
  Te  Te7  1  0.0  0.13  0.57  1.0
  Te  Te8  1  0.13  0.0  0.57  1.0
  P  P6  1  0.0  0.0  0.0  1.0

data_B6Te2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   8.85
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   125.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B6Te2P
_chemical_formula_sum   'B12 Te4 P2'
_cell_volume   246.03
_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  4  0.37  0.37  0.86  1.0
  B  B1  4  0.5  0.37  -0.0  1.0
  B  B2  2  0.0  0.0  0.14  1.0
  B  B3  2  0.0  0.0  0.58  1.0
  Te  Te4  4  0.44  0.44  0.43  1.0
  P  P5  2  0.0  0.0  0.0  1.0

B B B B B B Te Te P
B B B B B B Te Te P 0 8 o o + 1 6 o o o 1 7 o o o 2 5 + o o 3 4 o - o 