# generated using pymatgen
data_Li6Zr6HCl18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84162192
_cell_length_b   9.84162192
_cell_length_c   9.84162206
_cell_angle_alpha   111.24703050
_cell_angle_beta   111.24703050
_cell_angle_gamma   111.24702194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Zr6HCl18
_chemical_formula_sum   'Li6 Zr6 H1 Cl18'
_cell_volume   681.30546582
_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
  Li  Li0  1  0.33399200  0.40607000  0.78264500  1
  Li  Li1  1  0.78264500  0.33399200  0.40607000  1
  Li  Li2  1  0.40607000  0.78264500  0.33399200  1
  Li  Li3  1  0.66600800  0.59393000  0.21735500  1
  Li  Li4  1  0.21735500  0.66600800  0.59393000  1
  Li  Li5  1  0.59393000  0.21735500  0.66600800  1
  Zr  Zr6  1  0.97772400  0.84032400  0.75106000  1
  Zr  Zr7  1  0.75106000  0.97772400  0.84032400  1
  Zr  Zr8  1  0.84032400  0.75106000  0.97772400  1
  Zr  Zr9  1  0.02227600  0.15967600  0.24894000  1
  Zr  Zr10  1  0.24894000  0.02227600  0.15967600  1
  Zr  Zr11  1  0.15967600  0.24894000  0.02227600  1
  H  H12  1  0.00000000  0.00000000  0.00000000  1
  Cl  Cl13  1  0.30914100  0.20812000  0.46648900  1
  Cl  Cl14  1  0.46648900  0.30914100  0.20812000  1
  Cl  Cl15  1  0.20812000  0.46648900  0.30914100  1
  Cl  Cl16  1  0.69085900  0.79188000  0.53351100  1
  Cl  Cl17  1  0.53351100  0.69085900  0.79188000  1
  Cl  Cl18  1  0.79188000  0.53351100  0.69085900  1
  Cl  Cl19  1  0.25523300  0.84289400  0.89742200  1
  Cl  Cl20  1  0.89742200  0.25523300  0.84289400  1
  Cl  Cl21  1  0.84289400  0.89742200  0.25523300  1
  Cl  Cl22  1  0.74476700  0.15710600  0.10257800  1
  Cl  Cl23  1  0.10257800  0.74476700  0.15710600  1
  Cl  Cl24  1  0.15710600  0.10257800  0.74476700  1
  Cl  Cl25  1  0.06666900  0.36921200  0.55688200  1
  Cl  Cl26  1  0.55688200  0.06666900  0.36921200  1
  Cl  Cl27  1  0.36921200  0.55688200  0.06666900  1
  Cl  Cl28  1  0.93333100  0.63078800  0.44311800  1
  Cl  Cl29  1  0.44311800  0.93333100  0.63078800  1
  Cl  Cl30  1  0.63078800  0.44311800  0.93333100  1
