data_HfBe2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   5.19
_cell_angle_alpha   110.55
_cell_angle_beta   110.55
_cell_angle_gamma   58.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ga
_chemical_formula_sum   'Hf1 Be2 Ga1'
_cell_volume   54.45
_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  Hf3  1  0.25  0.0  0.0  1.0
  Be  Be0  1  0.28  0.0  0.05  1.0
  Be  Be1  1  0.03  0.0  0.93  1.0
  Ga  Ga2  1  0.15  0.0  0.88  1.0

data_HfBe2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.66
_cell_length_c   5.19
_cell_angle_alpha   110.55
_cell_angle_beta   90.0
_cell_angle_gamma   119.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Ga
_chemical_formula_sum   'Hf1 Be2 Ga1'
_cell_volume   54.45
_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  0.75  1.0  1.0
  Be  Be1  1  0.0  0.72  0.95  1.0
  Be  Be2  1  0.0  0.97  0.07  1.0
  Ga  Ga3  1  0.0  0.85  0.12  1.0

Hf Be Be Ga