# generated using pymatgen
data_Ca2Yb5ThBi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27337343
_cell_length_b   8.33732960
_cell_length_c   8.34583691
_cell_angle_alpha   109.65182622
_cell_angle_beta   109.35080640
_cell_angle_gamma   109.29364429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Yb5ThBi6
_chemical_formula_sum   'Ca2 Yb5 Th1 Bi6'
_cell_volume   443.79406352
_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
  Ca  Ca0  1  0.64625092  0.50039135  0.00024114  1.0
  Ca  Ca1  1  0.49974447  0.99975430  0.64854207  1.0
  Yb  Yb2  1  0.35922266  0.35470889  0.36332321  1.0
  Yb  Yb3  1  0.50451532  0.00842172  0.14515282  1.0
  Yb  Yb4  1  0.99957811  0.64888511  0.50037799  1.0
  Yb  Yb5  1  0.85115242  0.85109713  0.85099628  1.0
  Yb  Yb6  1  0.99607724  0.13680501  0.49168084  1.0
  Th  Th7  1  0.14641503  0.50002159  0.00013376  1.0
  Bi  Bi8  1  0.37032308  0.62440304  0.75287782  1.0
  Bi  Bi9  1  0.88131960  0.25123597  0.12830834  1.0
  Bi  Bi10  1  0.61871418  0.74627674  0.37188016  1.0
  Bi  Bi11  1  0.12795379  0.87573190  0.24786361  1.0
  Bi  Bi12  1  0.24444492  0.12729832  0.87495050  1.0
  Bi  Bi13  1  0.75428726  0.37496493  0.62367546  1.0