data_Na2SrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.31
_cell_angle_alpha   104.27
_cell_angle_beta   104.27
_cell_angle_gamma   54.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrB
_chemical_formula_sum   'Na2 Sr1 B1'
_cell_volume   120.88
_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  0.1  0.0  0.45  1.0
  Na  Na2  1  0.54  0.0  0.89  1.0
  Sr  Sr3  1  0.92  0.0  0.79  1.0
  B  B0  1  0.6  0.0  0.4  1.0

data_Na2SrB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.59
_cell_length_c   7.31
_cell_angle_alpha   104.27
_cell_angle_beta   90.0
_cell_angle_gamma   117.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrB
_chemical_formula_sum   'Na2 Sr1 B1'
_cell_volume   120.88
_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  0.46  0.11  1.0
  Na  Na1  1  0.0  0.9  0.55  1.0
  Sr  Sr2  1  0.0  0.08  0.21  1.0
  B  B3  1  0.0  0.4  0.6  1.0

Na Na Sr B