data_SrBeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.89
_cell_angle_alpha   108.09
_cell_angle_beta   108.09
_cell_angle_gamma   36.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeIr2
_chemical_formula_sum   'Sr1 Be1 Ir2'
_cell_volume   72.9
_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  0.48  0.0  0.78  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.98  0.0  0.74  1.0
  Ir  Ir2  1  0.97  0.0  0.82  1.0

data_SrBeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.68
_cell_length_c   5.89
_cell_angle_alpha   108.09
_cell_angle_beta   90.0
_cell_angle_gamma   108.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeIr2
_chemical_formula_sum   'Sr1 Be1 Ir2'
_cell_volume   72.9
_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  0.0  0.52  0.22  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.02  0.26  1.0
  Ir  Ir3  1  0.0  0.03  0.18  1.0

Sr Be Ir Ir
Sr Be Ir Ir 0 3 - o o 0 3 o o o 0 2 - o o 0 2 o o o 0 1 + o + 1 3 - o - 2 3 o o o 