data_TmCo5P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.69
_cell_length_b   3.63
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmCo5P3
_chemical_formula_sum   'Tm4 Co20 P12'
_cell_volume   435.32
_cell_formula_units_Z   4
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
  Tm  Tm0  1  0.22  0.91  0.98  1.0
  Tm  Tm1  1  0.37  0.91  0.41  1.0
  Tm  Tm2  1  0.47  0.72  0.28  1.0
  Tm  Tm3  1  0.32  0.72  0.85  1.0
  Co  Co4  1  0.58  0.91  0.35  1.0
  Co  Co5  1  0.73  0.91  0.04  1.0
  Co  Co6  1  0.11  0.72  0.91  1.0
  Co  Co7  1  0.96  0.72  0.22  1.0
  Co  Co8  1  0.69  0.91  0.18  1.0
  Co  Co9  1  0.54  0.91  0.95  1.0
  Co  Co10  1  1.0  0.72  0.08  1.0
  Co  Co11  1  0.15  0.72  0.31  1.0
  Co  Co12  1  0.06  0.91  0.27  1.0
  Co  Co13  1  0.91  0.91  0.86  1.0
  Co  Co14  1  0.63  0.72  0.99  1.0
  Co  Co15  1  0.78  0.72  0.4  1.0
  Co  Co16  1  0.17  0.91  0.06  1.0
  Co  Co17  1  0.32  0.91  0.33  1.0
  Co  Co18  1  0.52  0.72  0.2  1.0
  Co  Co19  1  0.37  0.72  0.93  1.0
  Co  Co20  1  0.89  0.91  0.8  1.0
  Co  Co21  1  0.04  0.91  0.33  1.0
  Co  Co22  1  0.8  0.72  0.46  1.0
  Co  Co23  1  0.65  0.72  0.93  1.0
  P  P24  1  0.32  0.91  0.29  1.0
  P  P25  1  0.16  0.91  0.84  1.0
  P  P26  1  0.37  0.72  0.97  1.0
  P  P27  1  0.53  0.72  0.42  1.0
  P  P28  1  0.17  0.91  0.76  1.0
  P  P29  1  0.33  0.91  0.37  1.0
  P  P30  1  0.52  0.72  0.5  1.0
  P  P31  1  0.36  0.72  0.89  1.0
  P  P32  1  0.56  0.91  0.16  1.0
  P  P33  1  0.41  0.91  0.23  1.0
  P  P34  1  0.13  0.72  0.1  1.0
  P  P35  1  0.28  0.72  0.03  1.0

data_TmCo5P3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.63
_cell_length_b   10.26
_cell_length_c   11.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TmCo5P3
_chemical_formula_sum   'Tm4 Co20 P12'
_cell_volume   435.32
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tm  Tm0  2  0.41  0.15  0.13  1.0
  Tm  Tm1  2  0.41  0.72  0.97  1.0
  Co  Co2  2  0.41  0.07  0.18  1.0
  Co  Co3  2  0.41  0.09  0.61  1.0
  Co  Co4  2  0.41  0.18  0.81  1.0
  Co  Co5  2  0.41  0.27  0.44  1.0
  Co  Co6  2  0.41  0.33  0.46  1.0
  Co  Co7  2  0.41  0.78  0.77  1.0
  Co  Co8  2  0.41  0.8  0.3  1.0
  Co  Co9  2  0.41  0.8  0.02  1.0
  Co  Co10  2  0.41  0.86  0.28  1.0
  Co  Co11  2  0.41  0.95  0.65  1.0
  P  P12  2  0.41  0.29  0.18  1.0
  P  P13  2  0.41  0.37  0.17  1.0
  P  P14  2  0.41  0.76  0.02  1.0
  P  P15  2  0.41  0.84  0.03  1.0
  P  P16  2  0.41  0.9  0.94  1.0
  P  P17  2  0.41  0.97  0.78  1.0

Tm Tm Tm Tm Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co P P P P P P P P P P P P
Tm Tm Tm Tm Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co P P P P P P P P P P P P 0 16 o o + 0 35 o o + 1 29 o o o 2 33 o o o 2 18 o o o 3 31 o o o 4 27 o o o 5 23 o o - 5 14 o o - 5 8 o o o 6 25 o o o 7 10 o o o 7 21 + o o 7 12 + o o 8 32 o o o 9 23 o o o 9 14 o o o 10 34 + o o 11 12 o o o 11 21 o o o 12 21 o o o 13 20 o o o 14 23 o o o 15 22 o o o 16 34 o o o 17 29 o o o 17 24 o o o 18 32 o o o 19 31 o o o 19 26 o o o 24 33 o o o 25 28 o o o 26 35 o o + 27 30 o o o 