# generated using pymatgen
data_Ca2BC11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38367499
_cell_length_b   4.38647384
_cell_length_c   8.86786825
_cell_angle_alpha   91.21954432
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97889529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BC11
_chemical_formula_sum   'Ca2 B1 C11'
_cell_volume   147.66070538
_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
  Ca  Ca0  1  0.34109241  0.64910906  0.25445547  1.0
  Ca  Ca1  1  0.69198435  0.35089294  0.74554453  1.0
  B  B2  1  0.32571732  0.00000000  0.00000000  1.0
  C  C3  1  0.67130656  0.00000000  0.00000000  1.0
  C  C4  1  0.32697850  0.34481413  0.99580640  1.0
  C  C5  1  0.99293110  0.33277793  0.00054124  1.0
  C  C6  1  0.98216537  0.65518487  0.00419360  1.0
  C  C7  1  0.66015317  0.66722107  0.99945876  1.0
  C  C8  1  0.33460708  0.00000000  0.50000000  1.0
  C  C9  1  0.66810139  0.00000000  0.50000000  1.0
  C  C10  1  0.33468938  0.33367926  0.50245050  1.0
  C  C11  1  0.00125623  0.33324919  0.49828158  1.0
  C  C12  1  0.00101112  0.66631974  0.49754950  1.0
  C  C13  1  0.66800704  0.66674981  0.50171842  1.0