# generated using pymatgen
data_Ca6YbHfBi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12508901
_cell_length_b   8.28228982
_cell_length_c   8.28918379
_cell_angle_alpha   109.88970882
_cell_angle_beta   109.05405780
_cell_angle_gamma   109.05241046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6YbHfBi6
_chemical_formula_sum   'Ca6 Yb1 Hf1 Bi6'
_cell_volume   431.58148866
_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  0.64301428  0.50003727  0.99994325  1.0
  Ca  Ca1  1  0.50082641  0.00457945  0.65322984  1.0
  Ca  Ca2  1  0.36181563  0.35747906  0.35866758  1.0
  Ca  Ca3  1  0.50538906  0.00109744  0.14284987  1.0
  Ca  Ca4  1  0.99626860  0.64889887  0.49548984  1.0
  Ca  Ca5  1  0.84765210  0.84688252  0.85154369  1.0
  Yb  Yb6  1  0.00384156  0.14146659  0.49938693  1.0
  Hf  Hf7  1  0.13679599  0.49960330  0.99935314  1.0
  Bi  Bi8  1  0.36132161  0.61771860  0.75646961  1.0
  Bi  Bi9  1  0.89227138  0.26164873  0.12128763  1.0
  Bi  Bi10  1  0.60670419  0.74429105  0.36242797  1.0
  Bi  Bi11  1  0.12961946  0.85941365  0.23906821  1.0
  Bi  Bi12  1  0.24248581  0.13796410  0.87942573  1.0
  Bi  Bi13  1  0.77199593  0.37891837  0.64085672  1.0