data_B5As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.4
_cell_angle_alpha   101.69
_cell_angle_beta   101.69
_cell_angle_gamma   39.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5As
_chemical_formula_sum   'B5 As1'
_cell_volume   66.08
_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  B1  1  0.32  0.0  0.95  1.0
  B  B2  1  0.13  0.0  0.31  1.0
  B  B3  1  0.75  0.0  0.68  1.0
  B  B4  1  0.53  0.0  0.74  1.0
  B  B5  1  0.71  0.0  0.4  1.0
  As  As0  1  0.33  0.0  0.86  1.0

data_B5As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.43
_cell_length_c   5.4
_cell_angle_alpha   101.69
_cell_angle_beta   90.0
_cell_angle_gamma   109.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5As
_chemical_formula_sum   'B5 As1'
_cell_volume   66.08
_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  0.32  1.0
  B  B1  1  0.0  0.29  0.6  1.0
  B  B2  1  0.0  0.47  0.26  1.0
  B  B3  1  0.0  0.68  0.05  1.0
  B  B4  1  0.0  0.87  0.69  1.0
  As  As5  1  0.0  0.67  0.14  1.0

B B B B B As
B B B B B As 0 5 o o o 0 1 o o + 1 4 - o o 1 4 o o o 2 3 o o o 2 4 o o o 3 5 o o o 