data_NaSrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.76
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrB2
_chemical_formula_sum   'Na1 Sr1 B2'
_cell_volume   75.3
_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  Na2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.94  1.0
  B  B0  1  0.7  0.88  0.08  1.0
  B  B1  1  0.7  0.88  0.8  1.0

data_NaSrB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.76
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrB2
_chemical_formula_sum   'Na1 Sr1 B2'
_cell_volume   75.3
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.0  0.94  1.0
  B  B2  1  0.7  0.88  0.08  1.0
  B  B3  1  0.7  0.88  0.8  1.0

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