data_MnFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.4
_cell_length_c   8.4
_cell_angle_alpha   17.71
_cell_angle_beta   17.71
_cell_angle_gamma   17.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Pt
_chemical_formula_sum   'Mn1 Fe2 Pt1'
_cell_volume   47.9
_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  Mn2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.43  1.0
  Fe  Fe1  1  0.0  0.0  0.37  1.0
  Pt  Pt3  1  0.0  0.0  0.4  1.0

data_MnFe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   2.59
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   100.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnFe2Pt
_chemical_formula_sum   'Mn2 Fe4 Pt2'
_cell_volume   95.79
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.57  1.0
  Fe  Fe2  2  0.0  0.0  0.63  1.0
  Pt  Pt3  2  0.0  0.0  0.6  1.0

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