data_FeMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.71
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo2Pt
_chemical_formula_sum   'Fe1 Mo2 Pt1'
_cell_volume   58.19
_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
  Fe  Fe0  1  0.0  0.0  0.41  1.0
  Mo  Mo1  1  0.39  0.85  0.49  1.0
  Mo  Mo2  1  0.0  0.0  0.39  1.0
  Pt  Pt3  1  0.39  0.85  0.86  1.0

data_FeMo2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.71
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeMo2Pt
_chemical_formula_sum   'Fe1 Mo2 Pt1'
_cell_volume   58.19
_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
  Fe  Fe0  1  0.0  0.0  0.41  1.0
  Mo  Mo1  1  0.0  0.0  0.39  1.0
  Mo  Mo2  1  0.39  0.85  0.49  1.0
  Pt  Pt3  1  0.39  0.85  0.86  1.0

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