data_Th2Mn12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.3
_cell_length_b   9.3
_cell_length_c   3.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Mn12P7
_chemical_formula_sum   'Th2 Mn12 P7'
_cell_volume   277.63
_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  Th0  1  0.65  0.68  0.0  1.0
  Th  Th1  1  0.0  0.37  0.85  1.0
  Mn  Mn2  1  0.09  0.65  0.0  1.0
  Mn  Mn3  1  0.48  0.44  0.0  1.0
  Mn  Mn4  1  0.43  0.02  0.0  1.0
  Mn  Mn5  1  0.79  0.85  0.0  1.0
  Mn  Mn6  1  0.84  0.23  0.0  1.0
  Mn  Mn7  1  0.31  0.98  0.0  1.0
  Mn  Mn8  1  0.24  0.54  0.85  1.0
  Mn  Mn9  1  0.24  0.14  0.85  1.0
  Mn  Mn10  1  0.46  0.37  0.85  1.0
  Mn  Mn11  1  0.94  0.2  0.85  1.0
  Mn  Mn12  1  0.94  0.81  0.85  1.0
  Mn  Mn13  1  0.11  0.1  0.85  1.0
  P  P14  1  0.75  0.71  0.0  1.0
  P  P15  1  0.83  0.25  0.0  1.0
  P  P16  1  0.42  0.14  0.0  1.0
  P  P17  1  0.88  0.83  0.85  1.0
  P  P18  1  0.17  0.94  0.85  1.0
  P  P19  1  0.9  0.28  0.85  1.0
  P  P20  1  0.0  0.0  0.0  1.0

data_Th2Mn12P7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   9.3
_cell_length_c   9.3
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Mn12P7
_chemical_formula_sum   'Th2 Mn12 P7'
_cell_volume   277.63
_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  Th0  1  -0.0  0.65  0.68  1.0
  Th  Th1  1  0.85  0.0  0.37  1.0
  Mn  Mn2  1  -0.0  0.31  0.98  1.0
  Mn  Mn3  1  -0.0  0.09  0.65  1.0
  Mn  Mn4  1  -0.0  0.79  0.85  1.0
  Mn  Mn5  1  0.0  0.48  0.44  1.0
  Mn  Mn6  1  0.0  0.84  0.23  1.0
  Mn  Mn7  1  0.0  0.43  0.02  1.0
  Mn  Mn8  1  0.85  0.11  0.1  1.0
  Mn  Mn9  1  0.85  0.24  0.14  1.0
  Mn  Mn10  1  0.85  0.24  0.54  1.0
  Mn  Mn11  1  0.85  0.46  0.37  1.0
  Mn  Mn12  1  0.85  0.94  0.81  1.0
  Mn  Mn13  1  0.85  0.94  0.2  1.0
  P  P14  1  0.0  0.0  0.0  1.0
  P  P15  1  0.0  0.75  0.71  1.0
  P  P16  1  0.0  0.83  0.25  1.0
  P  P17  1  0.0  0.42  0.14  1.0
  P  P18  1  0.85  0.17  0.94  1.0
  P  P19  1  0.85  0.88  0.83  1.0
  P  P20  1  0.85  0.9  0.28  1.0

Th Th Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn P P P P P P P