data_Th(FeP3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(FeP3)4
_chemical_formula_sum   'Th1 Fe4 P12'
_cell_volume   236.18
_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
  Th  Th16  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.95  0.95  0.05  1.0
  Fe  Fe1  1  0.95  0.05  0.95  1.0
  Fe  Fe2  1  0.95  0.95  0.95  1.0
  Fe  Fe3  1  0.05  0.95  0.95  1.0
  P  P4  1  0.84  0.71  0.89  1.0
  P  P5  1  0.16  0.71  0.89  1.0
  P  P6  1  0.0  0.05  0.19  1.0
  P  P7  1  0.19  0.0  0.05  1.0
  P  P8  1  0.71  0.89  0.16  1.0
  P  P9  1  0.0  0.73  0.19  1.0
  P  P10  1  0.89  0.16  0.71  1.0
  P  P11  1  0.19  0.0  0.73  1.0
  P  P12  1  0.71  0.89  0.84  1.0
  P  P13  1  0.89  0.84  0.71  1.0
  P  P14  1  0.73  0.19  0.0  1.0
  P  P15  1  0.05  0.19  0.0  1.0

data_Th(FeP3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.01
_cell_length_b   11.01
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Th(FeP3)4
_chemical_formula_sum   'Th3 Fe12 P36'
_cell_volume   708.53
_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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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
  Th  Th0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  9  0.07  0.04  0.98  1.0
  Fe  Fe2  3  0.0  0.0  0.95  1.0
  P  P3  9  0.03  0.92  0.81  1.0
  P  P4  9  0.03  0.79  0.97  1.0
  P  P5  9  0.11  0.03  0.08  1.0
  P  P6  9  0.12  0.43  0.59  1.0

Th Fe Fe Fe Fe P P P P P P P P P P P P
Th Fe Fe Fe Fe P P P P P P P P P P P P 0 3 - - - 0 1 - - o 0 2 - o - 0 4 o - - 0 5 - - - 0 13 - - - 0 14 - - - 1 7 + + o 1 3 o o - 1 5 o o - 1 9 o o o 1 10 + o o 1 13 o o - 2 3 o - o 2 16 + o + 2 11 o o o 2 13 o - o 2 14 o - o 2 15 o o + 3 4 + o o 3 5 o o o 3 13 o o o 3 14 o o o 4 8 o + + 4 5 - o o 4 6 o o o 4 12 o + o 4 14 - o o 5 6 + o o 5 10 + o + 6 8 o + + 7 9 - - o 7 10 o - o 8 12 o o - 9 13 o o - 11 14 o - o 11 16 + o + 12 14 - - o 13 15 o + + 15 16 + o o 