data_BAsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAsP
_chemical_formula_sum   'B4 As4 P4'
_cell_volume   175.53
_cell_formula_units_Z   4
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  B4  1  0.94  0.94  0.94  1.0
  B  B5  1  0.86  0.66  0.74  1.0
  B  B6  1  0.66  0.74  0.86  1.0
  B  B7  1  0.74  0.86  0.66  1.0
  As  As0  1  0.88  0.88  0.88  1.0
  As  As1  1  0.52  0.72  0.08  1.0
  As  As2  1  0.72  0.08  0.52  1.0
  As  As3  1  0.08  0.52  0.72  1.0
  P  P8  1  0.01  0.01  0.01  1.0
  P  P9  1  0.79  0.59  0.81  1.0
  P  P10  1  0.59  0.81  0.79  1.0
  P  P11  1  0.81  0.79  0.59  1.0

data_BAsP
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   BAsP
_chemical_formula_sum   'B12 As12 P12'
_cell_volume   526.6
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.11  0.02  0.75  1.0
  B  B1  3  0.0  0.0  0.94  1.0
  As  As2  9  0.08  0.36  0.44  1.0
  As  As3  3  0.0  0.0  0.88  1.0
  P  P4  9  0.06  0.92  0.73  1.0
  P  P5  3  0.0  0.0  0.01  1.0

B B B B As As As As P P P P
B B B B As As As As P P P P 0 4 o o o 0 8 + + + 1 9 o o o 1 7 + o o 2 10 o o o 2 5 o o + 3 11 o o o 3 6 o + o 5 10 o o - 6 11 o - o 7 9 - o o 