data_NbFePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.86
_cell_angle_alpha   99.75
_cell_angle_beta   99.75
_cell_angle_gamma   33.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFePt2
_chemical_formula_sum   'Nb1 Fe1 Pt2'
_cell_volume   61.73
_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
  Nb  Nb1  1  0.75  0.0  0.13  1.0
  Fe  Fe0  1  0.19  0.0  0.49  1.0
  Pt  Pt2  1  0.99  0.0  0.08  1.0
  Pt  Pt3  1  0.65  0.0  0.47  1.0

data_NbFePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.83
_cell_length_c   4.86
_cell_angle_alpha   99.75
_cell_angle_beta   90.0
_cell_angle_gamma   106.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFePt2
_chemical_formula_sum   'Nb1 Fe1 Pt2'
_cell_volume   61.73
_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
  Nb  Nb0  1  0.0  0.25  0.87  1.0
  Fe  Fe1  1  0.0  0.81  0.51  1.0
  Pt  Pt2  1  0.0  0.01  0.92  1.0
  Pt  Pt3  1  0.0  0.35  0.53  1.0

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