data_La2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.7
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeP
_chemical_formula_sum   'La2 Fe1 P1'
_cell_volume   90.55
_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  0.42  0.85  0.02  1.0
  La  La2  1  0.83  0.85  0.64  1.0
  Fe  Fe0  1  0.79  0.0  0.33  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_La2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.7
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   93.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeP
_chemical_formula_sum   'La2 Fe1 P1'
_cell_volume   90.55
_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  0.42  0.85  0.02  1.0
  La  La1  1  0.83  0.85  0.64  1.0
  Fe  Fe2  1  0.79  0.0  0.33  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La La Fe P
La La Fe P 0 3 o + o 0 2 o + o 1 2 o + o 1 3 + + + 2 3 + o o 