# generated using pymatgen
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83058725
_cell_length_b   4.05917125
_cell_length_c   7.41576874
_cell_angle_alpha   104.91073508
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.15404626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaC2
_chemical_formula_sum   'Ca2 C4'
_cell_volume   97.23899144
_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  0.79740933  0.59481865  0.75351035  1.0
  Ca  Ca1  1  0.20259067  0.40518135  0.24648965  1.0
  C  C2  1  0.07922293  0.15844486  0.56430753  1.0
  C  C3  1  0.92077707  0.84155514  0.43569247  1.0
  C  C4  1  0.45185889  0.90371578  0.05825021  1.0
  C  C5  1  0.54814111  0.09628422  0.94174979  1.0