# generated using pymatgen
data_Ba2PtI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02798848
_cell_length_b   9.02798958
_cell_length_c   9.02798895
_cell_angle_alpha   29.65928150
_cell_angle_beta   29.65928463
_cell_angle_gamma   29.65927374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PtI
_chemical_formula_sum   'Ba2 Pt1 I1'
_cell_volume   159.51936964
_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
  Ba  Ba0  1  0.23342129  0.23342129  0.23342129  1.0
  Ba  Ba1  1  0.76657871  0.76657871  0.76657871  1.0
  Pt  Pt2  1  0.50000000  0.50000000  0.50000000  1.0
  I  I3  1  0.00000000  0.00000000  0.00000000  1.0