# generated using pymatgen
data_Cu3(IN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57065600
_cell_length_b   8.44720169
_cell_length_c   8.86588584
_cell_angle_alpha   81.34485407
_cell_angle_beta   77.74062263
_cell_angle_gamma   74.98084764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3(IN)4
_chemical_formula_sum   'Cu3 I4 N4'
_cell_volume   321.41588994
_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  0.27675800  0.50006600  0.41837600  1.0
  Cu  Cu1  1  0.72324200  0.49993400  0.58162400  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  I  I3  1  0.22024000  0.38512200  0.71111300  1.0
  I  I4  1  0.77976000  0.61487800  0.28888700  1.0
  I  I5  1  0.52045000  0.15359600  0.32069300  1.0
  I  I6  1  0.47955000  0.84640400  0.67930700  1.0
  N  N7  1  0.45019200  0.94288600  0.01164000  1.0
  N  N8  1  0.54980800  0.05711400  0.98836000  1.0
  N  N9  1  0.92231300  0.09417900  0.18375200  1.0
  N  N10  1  0.07768700  0.90582100  0.81624800  1.0