# generated using pymatgen
data_Ba2CuC(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95239800
_cell_length_b   3.95239800
_cell_length_c   8.59365700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuC(NO)2
_chemical_formula_sum   'Ba2 Cu1 C1 N2 O2'
_cell_volume   134.24538272
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.72294700  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.27705300  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.50000000  1.0
  C  C3  1  0.00000000  0.00000000  0.00000000  1.0
  N  N4  1  0.00000000  0.00000000  0.85521000  1.0
  N  N5  1  0.00000000  0.00000000  0.14479000  1.0
  O  O6  1  0.00000000  0.50000000  0.50000000  1.0
  O  O7  1  0.50000000  0.00000000  0.50000000  1.0