# generated using pymatgen
data_Ba2Zn2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63201833
_cell_length_b   4.63201894
_cell_length_c   19.22341147
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Zn2I
_chemical_formula_sum   'Ba4 Zn4 I2'
_cell_volume   357.19193864
_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  0.00000000  0.00000000  0.11450224  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.88549776  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.61450224  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.38549776  1.0
  Zn  Zn4  1  0.33333300  0.66666700  0.50041292  1.0
  Zn  Zn5  1  0.66666700  0.33333300  0.49958708  1.0
  Zn  Zn6  1  0.66666700  0.33333300  0.00041292  1.0
  Zn  Zn7  1  0.33333300  0.66666700  0.99958708  1.0
  I  I8  1  0.33333300  0.66666700  0.25000000  1.0
  I  I9  1  0.66666700  0.33333300  0.75000000  1.0