data_Na2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BP
_chemical_formula_sum   'Na2 B1 P1'
_cell_volume   62.73
_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
  Na  Na1  1  0.35  0.19  0.32  1.0
  Na  Na2  1  0.35  0.81  0.32  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.7  0.0  0.0  1.0

data_Na2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   116.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BP
_chemical_formula_sum   'Na2 B1 P1'
_cell_volume   62.73
_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
  Na  Na0  1  0.32  0.35  0.19  1.0
  Na  Na1  1  0.32  0.35  0.81  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.7  0.0  1.0

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