# generated using pymatgen
data_Zr3BeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89419081
_cell_length_b   6.87533389
_cell_length_c   3.59924488
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3BeS
_chemical_formula_sum   'Zr6 Be2 S2'
_cell_volume   170.60371703
_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
  Zr  Zr0  1  0.00050411  0.00087359  0.00000000  1.0
  Zr  Zr1  1  0.50050411  0.49912641  0.00000000  1.0
  Zr  Zr2  1  0.32467018  0.18023484  0.49999900  1.0
  Zr  Zr3  1  0.82467018  0.31976616  0.49999900  1.0
  Zr  Zr4  1  0.17894457  0.68030854  0.49999900  1.0
  Zr  Zr5  1  0.67894457  0.81969246  0.49999900  1.0
  Be  Be6  1  0.88246903  0.61584937  0.00000000  1.0
  Be  Be7  1  0.38246803  0.88415063  0.00000000  1.0
  S  S8  1  0.61341211  0.11076254  0.00000000  1.0
  S  S9  1  0.11341211  0.38923646  0.00000000  1.0