# generated using pymatgen
data_Cu3N4Cl4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15244453
_cell_length_b   7.15244453
_cell_length_c   7.15244453
_cell_angle_alpha   97.22435582
_cell_angle_beta   97.22435582
_cell_angle_gamma   138.45975277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3N4Cl4O
_chemical_formula_sum   'Cu3 N4 Cl4 O1'
_cell_volume   226.87635161
_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
  Cu  Cu0  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.14148100  0.14148100  0.28296200  1.0
  N  N4  1  0.85851900  0.85851900  0.71703800  1.0
  N  N5  1  0.85851900  0.14148100  0.00000000  1.0
  N  N6  1  0.14148100  0.85851900  0.00000000  1.0
  Cl  Cl7  1  0.50000000  0.19655400  0.69655400  1.0
  Cl  Cl8  1  0.50000000  0.80344600  0.30344600  1.0
  Cl  Cl9  1  0.80344600  0.50000000  0.30344600  1.0
  Cl  Cl10  1  0.19655400  0.50000000  0.69655400  1.0
  O  O11  1  0.50000000  0.50000000  0.00000000  1.0