data_SrB2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.6
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Ir
_chemical_formula_sum   'Sr1 B2 Ir1'
_cell_volume   74.99
_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  Sr3  1  0.01  0.3  0.54  1.0
  B  B0  1  0.0  0.0  0.49  1.0
  B  B1  1  0.01  0.0  0.53  1.0
  Ir  Ir2  1  0.0  0.0  0.51  1.0

data_SrB2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.04
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrB2Ir
_chemical_formula_sum   'Sr1 B2 Ir1'
_cell_volume   74.99
_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  0.99  0.46  0.7  1.0
  B  B1  1  0.0  0.51  0.0  1.0
  B  B2  1  0.99  0.47  0.0  1.0
  Ir  Ir3  1  0.0  0.49  0.0  1.0

Sr B B Ir