# generated using pymatgen
data_BaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59279772
_cell_length_b   7.61120374
_cell_length_c   7.61120502
_cell_angle_alpha   113.91518293
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn
_chemical_formula_sum   'Ba4 In4'
_cell_volume   296.17726006
_cell_formula_units_Z   4
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  0.25000000  0.32258199  0.67741801  1.0
  Ba  Ba1  1  0.75000000  0.67741801  0.32258199  1.0
  Ba  Ba2  1  0.25000000  0.87510586  0.12489414  1.0
  Ba  Ba3  1  0.75000000  0.12489414  0.87510586  1.0
  In  In4  1  0.75000000  0.22538332  0.37850271  1.0
  In  In5  1  0.25000000  0.77461668  0.62149729  1.0
  In  In6  1  0.25000000  0.37850271  0.22538332  1.0
  In  In7  1  0.75000000  0.62149729  0.77461668  1.0