data_MnFePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   132.33
_cell_angle_beta   132.33
_cell_angle_gamma   69.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFePt2
_chemical_formula_sum   'Mn1 Fe1 Pt2'
_cell_volume   52.62
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.86  0.89  1.0
  Pt  Pt2  1  0.86  0.0  0.89  1.0
  Pt  Pt3  1  0.0  0.0  0.79  1.0

data_MnFePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   4.61
_cell_angle_alpha   113.83
_cell_angle_beta   113.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFePt2
_chemical_formula_sum   'Mn1 Fe1 Pt2'
_cell_volume   52.62
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.03  0.89  0.03  1.0
  Pt  Pt2  1  0.79  0.79  0.79  1.0
  Pt  Pt3  1  0.89  0.03  0.03  1.0

Mn Fe Pt Pt