# generated using pymatgen
data_BaYb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45241417
_cell_length_b   7.45241417
_cell_length_c   5.92949610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYb3
_chemical_formula_sum   'Ba2 Yb6'
_cell_volume   285.19532327
_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
  Ba  Ba0  1  0.33333300  0.66666700  0.75000000  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.25000000  1.0
  Yb  Yb2  1  0.15732157  0.31464314  0.25000000  1.0
  Yb  Yb3  1  0.68535686  0.84267843  0.25000000  1.0
  Yb  Yb4  1  0.15732157  0.84267843  0.25000000  1.0
  Yb  Yb5  1  0.84267843  0.68535686  0.75000000  1.0
  Yb  Yb6  1  0.31464314  0.15732157  0.75000000  1.0
  Yb  Yb7  1  0.84267843  0.15732157  0.75000000  1.0