data_LaY2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   4.39
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Fe
_chemical_formula_sum   'La1 Y2 Fe1'
_cell_volume   105.59
_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  0.07  0.0  0.17  1.0
  Y  Y2  1  0.91  0.2  0.03  1.0
  Y  Y3  1  0.02  0.2  0.3  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_LaY2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.39
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Fe
_chemical_formula_sum   'La1 Y2 Fe1'
_cell_volume   105.59
_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  0.07  0.0  0.17  1.0
  Y  Y1  1  0.02  0.2  0.3  1.0
  Y  Y2  1  0.91  0.2  0.03  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

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