data_ZnFePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFePt2
_chemical_formula_sum   'Zn1 Fe1 Pt2'
_cell_volume   57.53
_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
  Zn  Zn3  1  0.94  0.0  0.69  1.0
  Fe  Fe0  1  0.0  0.0  0.91  1.0
  Pt  Pt1  1  0.94  0.0  0.14  1.0
  Pt  Pt2  1  0.0  0.0  0.5  1.0

data_ZnFePt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnFePt2
_chemical_formula_sum   'Zn1 Fe1 Pt2'
_cell_volume   57.54
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zn  Zn0  1  0.94  0.0  0.69  1.0
  Fe  Fe1  1  0.0  0.0  0.91  1.0
  Pt  Pt2  1  0.0  0.0  0.5  1.0
  Pt  Pt3  1  0.94  0.0  0.14  1.0

Zn Fe Pt Pt
Zn Fe Pt Pt 0 3 + o o 0 1 + o o 1 2 - o + 