# generated using pymatgen
data_NdThMn12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74226534
_cell_length_b   9.74226624
_cell_length_c   3.77190111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThMn12P7
_chemical_formula_sum   'Nd1 Th1 Mn12 P7'
_cell_volume   310.03513064
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.50000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.00000000  1.0
  Mn  Mn2  1  0.04909367  0.28797429  0.00000000  1.0
  Mn  Mn3  1  0.71202571  0.76111938  0.00000000  1.0
  Mn  Mn4  1  0.23888062  0.95090633  0.00000000  1.0
  Mn  Mn5  1  0.55249083  0.05995890  0.00000000  1.0
  Mn  Mn6  1  0.94004110  0.49253293  0.00000000  1.0
  Mn  Mn7  1  0.50746707  0.44750917  0.00000000  1.0
  Mn  Mn8  1  0.62387951  0.89926207  0.50000000  1.0
  Mn  Mn9  1  0.10073793  0.72461644  0.50000000  1.0
  Mn  Mn10  1  0.27538356  0.37612049  0.50000000  1.0
  Mn  Mn11  1  0.79640677  0.23436749  0.50000000  1.0
  Mn  Mn12  1  0.76563251  0.56204027  0.50000000  1.0
  Mn  Mn13  1  0.43795973  0.20359323  0.50000000  1.0
  P  P14  1  0.78591201  0.04401683  0.00000000  1.0
  P  P15  1  0.95598317  0.74189518  0.00000000  1.0
  P  P16  1  0.25810482  0.21408799  0.00000000  1.0
  P  P17  1  0.38306414  0.92157338  0.50000000  1.0
  P  P18  1  0.07842662  0.46148976  0.50000000  1.0
  P  P19  1  0.53851024  0.61693586  0.50000000  1.0
  P  P20  1  0.66666700  0.33333300  0.00000000  1.0