# generated using pymatgen
data_Ba2Pt2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59551298
_cell_length_b   4.59551294
_cell_length_c   18.76518559
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Pt2I
_chemical_formula_sum   'Ba4 Pt4 I2'
_cell_volume   343.20334809
_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  0.10869608  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.89130392  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.60869608  1.0
  Ba  Ba3  1  0.00000000  0.00000000  0.39130392  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.50053360  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.49946640  1.0
  Pt  Pt6  1  0.66666700  0.33333300  0.00053360  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.99946640  1.0
  I  I8  1  0.33333300  0.66666700  0.25000000  1.0
  I  I9  1  0.66666700  0.33333300  0.75000000  1.0