# generated using pymatgen
data_Ba2BC11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37167837
_cell_length_b   4.37307863
_cell_length_c   10.67301077
_cell_angle_alpha   91.40731322
_cell_angle_beta   90.00000007
_cell_angle_gamma   119.98940094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BC11
_chemical_formula_sum   'Ba2 B1 C11'
_cell_volume   176.65452650
_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  0.33168055  0.64801036  0.25357745  1.0
  Ba  Ba1  1  0.68367119  0.35198964  0.74642255  1.0
  B  B2  1  0.32873822  0.00000000  1.00000000  1.0
  C  C3  1  0.67441711  1.00000000  1.00000000  1.0
  C  C4  1  0.99572096  0.33312666  0.99974595  1.0
  C  C5  1  0.66820868  1.00000000  0.50000000  1.0
  C  C6  1  0.98439147  0.65471671  0.00170769  1.0
  C  C7  1  0.33484156  0.00000000  0.50000000  1.0
  C  C8  1  0.66259430  0.66687334  0.00025405  1.0
  C  C9  1  0.00146524  0.66653034  0.49968147  1.0
  C  C10  1  0.32967376  0.34528329  0.99829231  1.0
  C  C11  1  0.00152807  0.33339306  0.49960340  1.0
  C  C12  1  0.33493490  0.33346966  0.50031853  1.0
  C  C13  1  0.66813501  0.66660694  0.50039660  1.0