data_Hf2BePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   146.52
_cell_angle_beta   133.32
_cell_angle_gamma   58.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BePt
_chemical_formula_sum   'Hf2 Be1 Pt1'
_cell_volume   69.18
_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  0.21  0.01  1.0
  Hf  Hf2  1  0.0  0.0  0.27  1.0
  Be  Be0  1  0.0  0.0  0.69  1.0
  Pt  Pt3  1  0.0  0.21  0.62  1.0

data_Hf2BePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.42
_cell_length_c   5.58
_cell_angle_alpha   113.34
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BePt
_chemical_formula_sum   'Hf2 Be1 Pt1'
_cell_volume   69.18
_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  0.27  0.27  1.0
  Hf  Hf1  1  0.79  0.8  0.8  1.0
  Be  Be2  1  0.0  0.69  0.69  1.0
  Pt  Pt3  1  0.79  0.4  0.4  1.0

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