data_Hf2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   127.08
_cell_angle_beta   127.08
_cell_angle_gamma   78.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AsPt
_chemical_formula_sum   'Hf2 As1 Pt1'
_cell_volume   73.78
_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  0.2  0.0  0.91  1.0
  Hf  Hf2  1  0.0  0.2  0.91  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.83  1.0

data_Hf2AsPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   129.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2AsPt
_chemical_formula_sum   'Hf4 As2 Pt2'
_cell_volume   147.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.18  0.1  0.28  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.17  0.0  0.17  1.0

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