data_SrTaB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   142.45
_cell_angle_beta   142.45
_cell_angle_gamma   54.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaB2
_chemical_formula_sum   'Sr1 Ta1 B2'
_cell_volume   63.72
_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
  Sr  Sr2  1  0.0  0.0  0.96  1.0
  Ta  Ta3  1  0.0  0.79  0.48  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.79  0.0  0.48  1.0

data_SrTaB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   5.57
_cell_angle_alpha   108.77
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaB2
_chemical_formula_sum   'Sr1 Ta1 B2'
_cell_volume   63.72
_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
  Sr  Sr0  1  0.96  0.96  0.96  1.0
  Ta  Ta1  1  0.69  0.48  0.69  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.48  0.69  0.69  1.0

Sr Ta B B