# generated using pymatgen
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45115955
_cell_length_b   4.45115955
_cell_length_c   7.39077495
_cell_angle_alpha   76.55890996
_cell_angle_beta   76.55890996
_cell_angle_gamma   56.67137655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaC2
_chemical_formula_sum   'Ca2 C4'
_cell_volume   118.00529501
_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  0.69397900  0.69397900  0.72081300  1.0
  Ca  Ca1  1  0.30602100  0.30602100  0.27918700  1.0
  C  C2  1  0.42716500  0.42716500  0.57111800  1.0
  C  C3  1  0.57283500  0.57283500  0.42888200  1.0
  C  C4  1  0.03198200  0.03198200  0.57473400  1.0
  C  C5  1  0.96801800  0.96801800  0.42526600  1.0