# generated using pymatgen
data_Th5Fe19P12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.54240870
_cell_length_b   14.54240870
_cell_length_c   9.22213185
_cell_angle_alpha   77.11355443
_cell_angle_beta   77.11355443
_cell_angle_gamma   14.86186811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Fe19P12
_chemical_formula_sum   'Th5 Fe19 P12'
_cell_volume   487.41857729
_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  0.50000000  0.50000000  0.50000000  1.0
  Th  Th1  1  0.58193100  0.58193100  0.80862200  1.0
  Th  Th2  1  0.41806900  0.41806900  0.19137800  1.0
  Th  Th3  1  0.17705400  0.17705400  0.22490600  1.0
  Th  Th4  1  0.82294600  0.82294600  0.77509400  1.0
  Fe  Fe5  1  0.77992000  0.77992000  0.50565300  1.0
  Fe  Fe6  1  0.75843600  0.75843600  0.10038800  1.0
  Fe  Fe7  1  0.24156400  0.24156400  0.89961200  1.0
  Fe  Fe8  1  0.22008000  0.22008000  0.49434700  1.0
  Fe  Fe9  1  0.34276600  0.34276600  0.49320900  1.0
  Fe  Fe10  1  0.61600100  0.61600100  0.10994200  1.0
  Fe  Fe11  1  0.38399900  0.38399900  0.89005800  1.0
  Fe  Fe12  1  0.52713700  0.52713700  0.14320400  1.0
  Fe  Fe13  1  0.47286300  0.47286300  0.85679600  1.0
  Fe  Fe14  1  0.29425700  0.29425700  0.27991600  1.0
  Fe  Fe15  1  0.70574300  0.70574300  0.72008400  1.0
  Fe  Fe16  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe17  1  0.84655500  0.84655500  0.09779000  1.0
  Fe  Fe18  1  0.08829100  0.08829100  0.54428700  1.0
  Fe  Fe19  1  0.91170900  0.91170900  0.45571300  1.0
  Fe  Fe20  1  0.06622600  0.06622600  0.29256700  1.0
  Fe  Fe21  1  0.93377400  0.93377400  0.70743300  1.0
  Fe  Fe22  1  0.65723400  0.65723400  0.50679100  1.0
  Fe  Fe23  1  0.15344500  0.15344500  0.90221000  1.0
  P  P24  1  0.91899600  0.91899600  0.94970300  1.0
  P  P25  1  0.08100400  0.08100400  0.05029700  1.0
  P  P26  1  0.69505400  0.69505400  0.96985500  1.0
  P  P27  1  0.30494600  0.30494600  0.03014500  1.0
  P  P28  1  0.39858800  0.39858800  0.62714000  1.0
  P  P29  1  0.73343500  0.73343500  0.35246900  1.0
  P  P30  1  0.15332600  0.15332600  0.65498600  1.0
  P  P31  1  0.84667400  0.84667400  0.34501400  1.0
  P  P32  1  0.01314600  0.01314600  0.73058900  1.0
  P  P33  1  0.98685400  0.98685400  0.26941100  1.0
  P  P34  1  0.60141200  0.60141200  0.37286000  1.0
  P  P35  1  0.26656500  0.26656500  0.64753100  1.0