data_HfBeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   146.26
_cell_angle_beta   141.52
_cell_angle_gamma   52.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeIr
_chemical_formula_sum   'Hf1 Be1 Ir1'
_cell_volume   44.4
_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
  Hf  Hf1  1  0.0  0.0  0.03  1.0
  Be  Be0  1  0.0  0.0  0.27  1.0
  Ir  Ir2  1  0.0  0.0  0.78  1.0

data_HfBeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.33
_cell_length_c   5.06
_cell_angle_alpha   109.24
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBeIr
_chemical_formula_sum   'Hf1 Be1 Ir1'
_cell_volume   44.4
_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
  Hf  Hf0  1  0.0  0.03  0.03  1.0
  Be  Be1  1  0.0  0.27  0.27  1.0
  Ir  Ir2  1  0.0  0.78  0.78  1.0

Hf Be Ir