# generated using pymatgen
data_Ga3Sn2(BIr3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40051056
_cell_length_b   6.40051098
_cell_length_c   5.55114113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Sn2(BIr3)2
_chemical_formula_sum   'Ga3 Sn2 B2 Ir6'
_cell_volume   196.94374755
_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
  Ga  Ga0  1  1.00000000  0.59867468  0.00000000  1.0
  Ga  Ga1  1  0.40132532  0.40132532  0.00000000  1.0
  Ga  Ga2  1  0.59867468  1.00000000  0.00000000  1.0
  Sn  Sn3  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn4  1  0.33333300  0.66666700  0.50000000  1.0
  B  B5  1  0.00000000  0.00000000  0.50000000  1.0
  B  B6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  1.00000000  0.26333049  0.74911226  1.0
  Ir  Ir8  1  1.00000000  0.26333049  0.25088774  1.0
  Ir  Ir9  1  0.73666951  0.73666951  0.25088774  1.0
  Ir  Ir10  1  0.26333049  1.00000000  0.74911226  1.0
  Ir  Ir11  1  0.26333049  1.00000000  0.25088774  1.0
  Ir  Ir12  1  0.73666951  0.73666951  0.74911226  1.0