data_HfBe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   122.85
_cell_angle_beta   122.85
_cell_angle_gamma   85.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Pt
_chemical_formula_sum   'Hf1 Be2 Pt1'
_cell_volume   56.15
_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  0.22  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.09  0.0  0.61  1.0
  Pt  Pt3  1  0.0  0.09  0.61  1.0

data_HfBe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.37
_cell_angle_alpha   118.58
_cell_angle_beta   118.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Pt
_chemical_formula_sum   'Hf1 Be2 Pt1'
_cell_volume   56.15
_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  0.78  0.0  0.78  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.39  0.0  0.48  1.0
  Pt  Pt3  1  0.48  0.09  0.48  1.0

Hf Be Be Pt
Hf Be Be Pt 0 1 o o o 2 3 o o o 