data_La2FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.22
_cell_angle_alpha   94.28
_cell_angle_beta   94.28
_cell_angle_gamma   87.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FePt
_chemical_formula_sum   'La2 Fe1 Pt1'
_cell_volume   91.27
_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  0.36  0.0  0.72  1.0
  La  La2  1  0.06  0.0  0.46  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.63  0.0  0.59  1.0

data_La2FePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.22
_cell_angle_alpha   85.72
_cell_angle_beta   85.72
_cell_angle_gamma   87.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FePt
_chemical_formula_sum   'La2 Fe1 Pt1'
_cell_volume   91.27
_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  0.64  0.0  0.72  1.0
  La  La1  1  0.94  0.0  0.46  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.37  0.0  0.59  1.0

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