# generated using pymatgen
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89966990
_cell_length_b   3.89966853
_cell_length_c   7.38409922
_cell_angle_alpha   75.42030669
_cell_angle_beta   75.42031018
_cell_angle_gamma   64.51271872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaC2
_chemical_formula_sum   'Ca2 C4'
_cell_volume   96.76998369
_cell_formula_units_Z   2
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  0.82548405  0.17451595  0.25000000  1.0
  Ca  Ca1  1  0.17451595  0.82548405  0.75000000  1.0
  C  C2  1  0.13967280  0.42070510  0.43988309  1.0
  C  C3  1  0.57929490  0.86032720  0.06011691  1.0
  C  C4  1  0.42070510  0.13967280  0.93988309  1.0
  C  C5  1  0.86032720  0.57929490  0.56011691  1.0