data_LaFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2P
_chemical_formula_sum   'La1 Fe2 P1'
_cell_volume   71.2
_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  La2  1  0.64  0.64  0.64  1.0
  Fe  Fe0  1  0.93  0.93  0.93  1.0
  Fe  Fe1  1  0.29  0.29  0.29  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_LaFe2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaFe2P
_chemical_formula_sum   'La3 Fe6 P3'
_cell_volume   213.61
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.36  1.0
  Fe  Fe1  3  0.0  0.0  0.07  1.0
  Fe  Fe2  3  0.0  0.0  0.71  1.0
  P  P3  3  0.0  0.0  0.0  1.0

La Fe Fe P
LaFe2P crystallizes in the trigonal R3m space group. La(1) is bonded in a 11-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), and three equivalent P(1) atoms. There are three shorter (2.73 Å) and one longer (3.30 Å) La(1)-Fe(1) bond length. There are three shorter (2.70 Å) and one longer (4.05 Å) La(1)-Fe(2) bond length. All La(1)-P(1) bond lengths are 2.70 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to four equivalent La(1) and one P(1) atom. The Fe(1)-P(1) bond length is 0.75 Å. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to four equivalent La(1) atoms. P(1) is bonded in a single-bond geometry to three equivalent La(1) and one Fe(1) atom.