# generated using pymatgen
data_BaC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51420418
_cell_length_b   4.51420418
_cell_length_c   8.34073337
_cell_angle_alpha   72.95703278
_cell_angle_beta   72.95703278
_cell_angle_gamma   63.89416461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaC2
_chemical_formula_sum   'Ba2 C4'
_cell_volume   143.23446743
_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
  Ba  Ba0  1  0.18979000  0.81021000  0.25000000  1.0
  Ba  Ba1  1  0.81021000  0.18979000  0.75000000  1.0
  C  C2  1  0.41402800  0.10672200  0.44552700  1.0
  C  C3  1  0.89327800  0.58597200  0.05447300  1.0
  C  C4  1  0.10672200  0.41402800  0.94552700  1.0
  C  C5  1  0.58597200  0.89327800  0.55447300  1.0