# generated using pymatgen
data_CaC12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24556341
_cell_length_b   5.79453129
_cell_length_c   26.51297100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.91257660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaC12
_chemical_formula_sum   'Ca1 C12'
_cell_volume   718.59921601
_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  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.61872900  0.49989800  0.50000000  1.0
  C  C2  1  0.38127100  0.50010200  0.50000000  1.0
  C  C3  1  0.52712800  0.81346300  0.00000000  1.0
  C  C4  1  0.88116900  0.49989800  0.50000000  1.0
  C  C5  1  0.47287200  0.18653700  0.00000000  1.0
  C  C6  1  0.11883100  0.50010200  0.50000000  1.0
  C  C7  1  0.00000000  0.50000000  0.66623200  1.0
  C  C8  1  0.28633500  0.81346300  0.00000000  1.0
  C  C9  1  0.00000000  0.50000000  0.33376800  1.0
  C  C10  1  0.71366500  0.18653700  0.00000000  1.0
  C  C11  1  0.50000000  0.50000000  0.33376800  1.0
  C  C12  1  0.50000000  0.50000000  0.66623200  1.0