# generated using pymatgen
data_Ba7(BIr)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31389036
_cell_length_b   9.31389036
_cell_length_c   9.31389111
_cell_angle_alpha   111.36061947
_cell_angle_beta   111.36061947
_cell_angle_gamma   111.36061254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba7(BIr)12
_chemical_formula_sum   'Ba7 B12 Ir12'
_cell_volume   574.36673967
_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  0.01125055  0.70805667  0.70805667  1.0
  Ba  Ba1  1  0.70805667  0.70805667  0.01125055  1.0
  Ba  Ba2  1  0.70805667  0.01125055  0.70805667  1.0
  Ba  Ba3  1  0.29194333  0.98874945  0.29194333  1.0
  Ba  Ba4  1  0.98874945  0.29194333  0.29194333  1.0
  Ba  Ba5  1  0.29194333  0.29194333  0.98874945  1.0
  Ba  Ba6  1  0.50000000  0.50000000  0.50000000  1.0
  B  B7  1  0.27260403  0.72739597  0.50000000  1.0
  B  B8  1  0.72739597  0.50000000  0.27260403  1.0
  B  B9  1  0.50000000  0.27260403  0.72739597  1.0
  B  B10  1  0.72739597  0.27260403  0.50000000  1.0
  B  B11  1  0.27260403  0.50000000  0.72739597  1.0
  B  B12  1  0.50000000  0.72739597  0.27260403  1.0
  B  B13  1  0.05944777  0.94055223  0.50000000  1.0
  B  B14  1  0.94055223  0.50000000  0.05944777  1.0
  B  B15  1  0.50000000  0.05944777  0.94055223  1.0
  B  B16  1  0.94055223  0.05944777  0.50000000  1.0
  B  B17  1  0.05944777  0.50000000  0.94055223  1.0
  B  B18  1  0.50000000  0.94055223  0.05944777  1.0
  Ir  Ir19  1  0.66958260  0.33041740  -0.00000000  1.0
  Ir  Ir20  1  0.33041740  0.00000000  0.66958260  1.0
  Ir  Ir21  1  -0.00000000  0.66958260  0.33041740  1.0
  Ir  Ir22  1  0.33041740  0.66958260  -0.00000000  1.0
  Ir  Ir23  1  0.66958260  -0.00000000  0.33041740  1.0
  Ir  Ir24  1  0.00000000  0.33041740  0.66958260  1.0
  Ir  Ir25  1  0.61555364  0.23555270  0.23555270  1.0
  Ir  Ir26  1  0.23555270  0.23555270  0.61555364  1.0
  Ir  Ir27  1  0.23555270  0.61555364  0.23555270  1.0
  Ir  Ir28  1  0.76444730  0.38444636  0.76444730  1.0
  Ir  Ir29  1  0.38444636  0.76444730  0.76444730  1.0
  Ir  Ir30  1  0.76444730  0.76444730  0.38444636  1.0