data_ZrFePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.58
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   92.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFePt2
_chemical_formula_sum   'Zr1 Fe1 Pt2'
_cell_volume   65.06
_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
  Zr  Zr3  1  0.07  0.29  0.26  1.0
  Fe  Fe0  1  0.67  0.0  0.07  1.0
  Pt  Pt1  1  0.29  0.29  0.68  1.0
  Pt  Pt2  1  0.45  0.0  0.43  1.0

data_ZrFePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.58
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   92.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFePt2
_chemical_formula_sum   'Zr1 Fe1 Pt2'
_cell_volume   65.06
_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
  Zr  Zr0  1  0.07  0.29  0.26  1.0
  Fe  Fe1  1  0.67  0.0  0.07  1.0
  Pt  Pt2  1  0.29  0.29  0.68  1.0
  Pt  Pt3  1  0.45  0.0  0.43  1.0

Zr Fe Pt Pt