data_Al2CrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   124.74
_cell_angle_beta   124.74
_cell_angle_gamma   81.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrPt
_chemical_formula_sum   'Al2 Cr1 Pt1'
_cell_volume   57.31
_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
  Al  Al0  1  0.06  0.0  0.68  1.0
  Al  Al1  1  0.0  0.06  0.68  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.36  1.0

data_Al2CrPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   130.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CrPt
_chemical_formula_sum   'Al4 Cr2 Pt2'
_cell_volume   114.63
_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
  Al  Al0  4  0.35  0.03  0.38  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.14  0.5  0.64  1.0

Al Al Cr Pt