# generated using pymatgen
data_CaYb4Sn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28116524
_cell_length_b   9.28116992
_cell_length_c   9.24087273
_cell_angle_alpha   96.79243110
_cell_angle_beta   96.79229987
_cell_angle_gamma   139.86093132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb4Sn2Bi
_chemical_formula_sum   'Ca2 Yb8 Sn4 Bi2'
_cell_volume   481.70309497
_cell_formula_units_Z   2
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  0.25114051  0.75113951  0.49999900  1.0
  Ca  Ca1  1  0.74886049  0.24886049  0.49999900  1.0
  Yb  Yb2  1  0.08792561  0.20818899  0.29611460  1.0
  Yb  Yb3  1  0.91207439  0.79181201  0.70388640  1.0
  Yb  Yb4  1  0.79001436  0.07721546  0.86723382  1.0
  Yb  Yb5  1  0.42278454  0.70998464  0.13276618  1.0
  Yb  Yb6  1  0.20998364  0.92278354  0.13276618  1.0
  Yb  Yb7  1  0.57721646  0.29001636  0.86723382  1.0
  Yb  Yb8  1  0.70818799  0.58792461  0.29611660  1.0
  Yb  Yb9  1  0.29181201  0.41207339  0.70388440  1.0
  Sn  Sn10  1  0.34558898  0.15441202  0.50000100  1.0
  Sn  Sn11  1  0.65441002  0.84558898  0.50000000  1.0
  Sn  Sn12  1  0.25000200  0.24999900  0.00000000  1.0
  Sn  Sn13  1  0.74999900  0.74999900  0.00000000  1.0
  Bi  Bi14  1  0.15916107  0.65916107  0.81832214  1.0
  Bi  Bi15  1  0.84083993  0.34083893  0.18167686  1.0