data_CrFePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.7
_cell_angle_alpha   99.43
_cell_angle_beta   99.43
_cell_angle_gamma   33.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFePt2
_chemical_formula_sum   'Cr1 Fe1 Pt2'
_cell_volume   58.29
_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  0.16  0.0  0.31  1.0
  Fe  Fe1  1  0.65  0.0  0.17  1.0
  Pt  Pt2  1  0.02  0.0  0.05  1.0
  Pt  Pt3  1  0.66  0.0  0.42  1.0

data_CrFePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.7
_cell_length_c   4.77
_cell_angle_alpha   99.43
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFePt2
_chemical_formula_sum   'Cr1 Fe1 Pt2'
_cell_volume   58.29
_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  0.31  0.16  1.0
  Fe  Fe1  1  0.0  0.17  0.65  1.0
  Pt  Pt2  1  0.0  0.05  0.02  1.0
  Pt  Pt3  1  0.0  0.42  0.66  1.0

Cr Fe Pt Pt
Cr Fe Pt Pt 0 2 o o o 1 3 o o o 