data_Cr2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.78
_cell_angle_alpha   100.35
_cell_angle_beta   100.35
_cell_angle_gamma   33.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PtAu
_chemical_formula_sum   'Cr2 Pt1 Au1'
_cell_volume   56.96
_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
  Cr  Cr1  1  0.04  0.0  0.65  1.0
  Cr  Cr2  1  0.64  0.0  0.5  1.0
  Pt  Pt3  1  0.16  0.0  0.49  1.0
  Au  Au0  1  0.52  0.0  0.1  1.0

data_Cr2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.72
_cell_length_c   4.78
_cell_angle_alpha   100.35
_cell_angle_beta   90.0
_cell_angle_gamma   106.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PtAu
_chemical_formula_sum   'Cr2 Pt1 Au1'
_cell_volume   56.96
_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
  Cr  Cr0  1  0.0  0.36  0.5  1.0
  Cr  Cr1  1  0.0  0.96  0.35  1.0
  Pt  Pt2  1  0.0  0.84  0.51  1.0
  Au  Au3  1  0.0  0.48  0.9  1.0

Cr Cr Pt Au
Cr Cr Pt Au 0 2 o o o 0 1 - o o 1 3 o o o 1 2 o o o 