data_HfBe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   35.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ir
_chemical_formula_sum   'Hf1 Be2 Ir1'
_cell_volume   51.04
_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  Hf2  1  0.0  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.74  1.0
  Be  Be1  1  0.83  0.0  0.8  1.0
  Ir  Ir3  1  0.83  0.0  0.6  1.0

data_HfBe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.67
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ir
_chemical_formula_sum   'Hf1 Be2 Ir1'
_cell_volume   51.04
_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  0.49  0.0  0.49  1.0
  Be  Be1  1  0.2  0.83  0.2  1.0
  Be  Be2  1  0.26  0.0  0.26  1.0
  Ir  Ir3  1  0.4  0.83  0.4  1.0

Hf Be Be Ir