# generated using pymatgen
data_Ca9Yb(Si2Sn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34673753
_cell_length_b   9.34669474
_cell_length_c   9.34657264
_cell_angle_alpha   130.95665961
_cell_angle_beta   130.95608398
_cell_angle_gamma   71.88070661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9Yb(Si2Sn)2
_chemical_formula_sum   'Ca9 Yb1 Si4 Sn2'
_cell_volume   455.50740961
_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  0.81464170  0.31350970  0.85914311  1.0
  Ca  Ca1  1  0.18535830  0.68649030  0.14085689  1.0
  Ca  Ca2  1  0.45436756  0.95549856  0.14084889  1.0
  Ca  Ca3  1  0.31354152  0.45434482  0.49886007  1.0
  Ca  Ca4  1  0.04451740  0.18532182  0.49886690  1.0
  Ca  Ca5  1  0.54563244  0.04450144  0.85915111  1.0
  Ca  Ca6  1  0.68645848  0.54565518  0.50113993  1.0
  Ca  Ca7  1  0.95548260  0.81467818  0.50113310  1.0
  Ca  Ca8  1  0.50000000  0.50000000  0.00000000  1.0
  Yb  Yb9  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si10  1  0.11123348  0.61271008  0.72390787  1.0
  Si  Si11  1  0.88876652  0.38728992  0.27609213  1.0
  Si  Si12  1  0.61268782  0.88877448  0.50146257  1.0
  Si  Si13  1  0.38731218  0.11122552  0.49853743  1.0
  Sn  Sn14  1  0.24966254  0.24967653  0.00000178  1.0
  Sn  Sn15  1  0.75033746  0.75032347  0.99999822  1.0