data_NaSrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.62
_cell_angle_alpha   119.95
_cell_angle_beta   119.95
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrB2
_chemical_formula_sum   'Na1 Sr1 B2'
_cell_volume   82.52
_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  0.19  0.0  0.27  1.0
  B  B0  1  0.92  0.0  0.08  1.0
  B  B1  1  0.47  0.0  0.47  1.0

data_NaSrB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.16
_cell_angle_alpha   98.65
_cell_angle_beta   109.29
_cell_angle_gamma   116.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrB2
_chemical_formula_sum   'Na1 Sr1 B2'
_cell_volume   82.52
_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  0.92  0.0  0.73  1.0
  B  B2  1  0.83  0.0  0.92  1.0
  B  B3  1  1.0  0.0  0.53  1.0

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