# generated using pymatgen
data_CaYb4Sn3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20552725
_cell_length_b   9.20556137
_cell_length_c   9.17263521
_cell_angle_alpha   127.62995922
_cell_angle_beta   127.62976638
_cell_angle_gamma   76.89895059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb4Sn3F
_chemical_formula_sum   'Ca2 Yb8 Sn6 F2'
_cell_volume   474.12903067
_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  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Yb  Yb2  1  0.50224742  0.00224686  0.81268732  1.0
  Yb  Yb3  1  0.19245620  0.69245622  0.18969213  1.0
  Yb  Yb4  1  0.00384102  0.18727686  0.49965547  1.0
  Yb  Yb5  1  0.68727602  0.50384048  0.49965595  1.0
  Yb  Yb6  1  0.49775258  0.99775314  0.18731268  1.0
  Yb  Yb7  1  0.80754380  0.30754378  0.81030787  1.0
  Yb  Yb8  1  0.99615898  0.81272314  0.50034453  1.0
  Yb  Yb9  1  0.31272398  0.49615952  0.50034405  1.0
  Sn  Sn10  1  0.25083510  0.24916531  0.00000051  1.0
  Sn  Sn11  1  0.74916490  0.75083469  0.99999949  1.0
  Sn  Sn12  1  0.87337515  0.37337525  0.24556580  1.0
  Sn  Sn13  1  0.12662485  0.62662475  0.75443420  1.0
  Sn  Sn14  1  0.37102729  0.12897289  0.50000044  1.0
  Sn  Sn15  1  0.62897271  0.87102711  0.49999956  1.0
  F  F16  1  0.25039604  0.75040356  0.50060603  1.0
  F  F17  1  0.74960396  0.24959644  0.49939397  1.0