# generated using pymatgen
data_Ca2BRu4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63917888
_cell_length_b   5.85677057
_cell_length_c   5.44937887
_cell_angle_alpha   71.81703130
_cell_angle_beta   56.18048667
_cell_angle_gamma   51.24270544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BRu4C3
_chemical_formula_sum   'Ca2 B1 Ru4 C3'
_cell_volume   137.06090199
_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  0.00118938  0.99881062  0.00118938  1.0
  Ca  Ca1  1  0.24955758  0.25044242  0.24955758  1.0
  B  B2  1  0.56698348  0.93301652  0.56698348  1.0
  Ru  Ru3  1  0.61862096  0.60539419  0.88597354  1.0
  Ru  Ru4  1  0.63878371  0.62805897  0.35887634  1.0
  Ru  Ru5  1  0.35887634  0.37427997  0.63878371  1.0
  Ru  Ru6  1  0.88597454  0.89001131  0.61861996  1.0
  C  C7  1  0.68115560  0.31884440  0.68115560  1.0
  C  C8  1  0.31704572  0.68295428  0.31704572  1.0
  C  C9  1  0.93181267  0.56818733  0.93181267  1.0