# generated using pymatgen
data_Co5CuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61349052
_cell_length_b   8.50274049
_cell_length_c   4.16662474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co5CuN4
_chemical_formula_sum   'Co10 Cu2 N8'
_cell_volume   198.87322023
_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
  Co  Co0  1  0.73224000  0.22850000  0.33485100  1
  Co  Co1  1  0.73224000  0.22850000  0.66514900  1
  Co  Co2  1  0.73224000  0.77150000  0.33485100  1
  Co  Co3  1  0.73224000  0.77150000  0.66514900  1
  Co  Co4  1  0.26776000  0.27150000  0.16514900  1
  Co  Co5  1  0.26776000  0.27150000  0.83485100  1
  Co  Co6  1  0.26776000  0.72850000  0.16514900  1
  Co  Co7  1  0.26776000  0.72850000  0.83485100  1
  Co  Co8  1  0.29118600  0.50000000  0.50000000  1
  Co  Co9  1  0.70881400  0.00000000  0.00000000  1
  Cu  Cu10  1  0.28094000  0.00000000  0.50000000  1
  Cu  Cu11  1  0.71906000  0.50000000  0.00000000  1
  N  N12  1  0.99124200  0.73403800  0.50000000  1
  N  N13  1  0.99124200  0.26596200  0.50000000  1
  N  N14  1  0.00875800  0.76596200  0.00000000  1
  N  N15  1  0.00875800  0.23403800  0.00000000  1
  N  N16  1  0.48566900  0.50000000  0.29736300  1
  N  N17  1  0.48566900  0.50000000  0.70263700  1
  N  N18  1  0.51433100  0.00000000  0.20263700  1
  N  N19  1  0.51433100  0.00000000  0.79736300  1
