# generated using pymatgen
data_CaYb2ScBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97862326
_cell_length_b   8.20056519
_cell_length_c   8.21219594
_cell_angle_alpha   110.00219800
_cell_angle_beta   108.91526684
_cell_angle_gamma   108.88547263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb2ScBi3
_chemical_formula_sum   'Ca2 Yb4 Sc2 Bi6'
_cell_volume   416.67691691
_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  0.50171338  0.00102868  0.64674302  1.0
  Ca  Ca1  1  0.35496935  0.35428466  0.35325698  1.0
  Yb  Yb2  1  0.50092125  0.99843577  0.14529868  1.0
  Yb  Yb3  1  0.00005486  0.64519061  0.49895425  1.0
  Yb  Yb4  1  0.85562357  0.85313808  0.85470132  1.0
  Yb  Yb5  1  0.00109961  0.14623536  0.50104575  1.0
  Sc  Sc6  1  0.14019514  0.50005182  0.99940957  1.0
  Sc  Sc7  1  0.64078558  0.50064225  0.00059043  1.0
  Bi  Bi8  1  0.37679159  0.61816276  0.76234478  1.0
  Bi  Bi9  1  0.87678589  0.26133813  0.11878398  1.0
  Bi  Bi10  1  0.61749081  0.73974715  0.35637256  1.0
  Bi  Bi11  1  0.11444581  0.85581698  0.23765522  1.0
  Bi  Bi12  1  0.25800291  0.14255615  0.88121602  1.0
  Bi  Bi13  1  0.76111825  0.38337259  0.64362744  1.0