data_LaFePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFePt
_chemical_formula_sum   'La1 Fe1 Pt1'
_cell_volume   66.99
_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
  La  La1  1  0.0  0.47  0.1  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.14  0.24  0.0  1.0

data_LaFePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFePt
_chemical_formula_sum   'La1 Fe1 Pt1'
_cell_volume   66.99
_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
  La  La0  1  0.1  0.0  0.47  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  -0.0  0.14  0.24  1.0

La Fe Pt
La Fe Pt 0 2 o o o 1 2 o o o 