# generated using pymatgen
data_CaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09389872
_cell_length_b   5.09389872
_cell_length_c   5.09389872
_cell_angle_alpha   149.44031303
_cell_angle_beta   100.64258077
_cell_angle_gamma   87.37598088
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaC2
_chemical_formula_sum   'Ca2 C4'
_cell_volume   64.32816787
_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  0.70600100  0.70600100  0.00000000  1.0
  Ca  Ca1  1  0.29399900  0.29399900  0.00000000  1.0
  C  C2  1  0.23246700  0.00000000  0.23246700  1.0
  C  C3  1  0.76753300  0.00000000  0.76753300  1.0
  C  C4  1  0.88781000  0.50000000  0.38781000  1.0
  C  C5  1  0.11219000  0.50000000  0.61219000  1.0