# generated using pymatgen
data_ThScMn12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59533062
_cell_length_b   9.59533096
_cell_length_c   3.62680148
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999881
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScMn12P7
_chemical_formula_sum   'Th1 Sc1 Mn12 P7'
_cell_volume   289.18404207
_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  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.00000000  1.0
  Mn  Mn2  1  0.04845436  0.28795450  0.00000000  1.0
  Mn  Mn3  1  0.71204550  0.76049985  0.00000000  1.0
  Mn  Mn4  1  0.23950015  0.95154564  0.00000000  1.0
  Mn  Mn5  1  0.54758359  0.05599270  0.00000000  1.0
  Mn  Mn6  1  0.94400730  0.49159089  0.00000000  1.0
  Mn  Mn7  1  0.50840911  0.45241641  0.00000000  1.0
  Mn  Mn8  1  0.62047569  0.89250710  0.50000000  1.0
  Mn  Mn9  1  0.10749290  0.72796759  0.50000000  1.0
  Mn  Mn10  1  0.27203241  0.37952431  0.50000000  1.0
  Mn  Mn11  1  0.79871753  0.23281578  0.50000000  1.0
  Mn  Mn12  1  0.76718422  0.56590275  0.50000000  1.0
  Mn  Mn13  1  0.43409725  0.20128247  0.50000000  1.0
  P  P14  1  0.78458946  0.04471656  0.00000000  1.0
  P  P15  1  0.95528344  0.73987191  0.00000000  1.0
  P  P16  1  0.26012809  0.21541054  0.00000000  1.0
  P  P17  1  0.38226695  0.90995365  0.50000000  1.0
  P  P18  1  0.09004635  0.47231329  0.50000000  1.0
  P  P19  1  0.52768671  0.61773305  0.50000000  1.0
  P  P20  1  0.66666700  0.33333300  0.00000000  1.0