data_AlBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBN2
_chemical_formula_sum   'Al1 B1 N2'
_cell_volume   32.82
_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
  Al  Al0  1  0.41  0.41  0.07  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  N  N2  1  0.41  0.0  0.27  1.0
  N  N3  1  0.0  0.41  0.87  1.0

data_AlBN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBN2
_chemical_formula_sum   'Al1 B1 N2'
_cell_volume   32.82
_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
  Al  Al0  1  0.41  0.41  0.07  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  N  N2  1  0.0  0.41  0.87  1.0
  N  N3  1  0.41  0.0  0.27  1.0

Al B N N
Al B N N 0 1 o o o 0 3 o o - 0 2 o o o 1 3 o o - 1 2 o o o 