# generated using pymatgen
data_Co4Cu3(NiSe6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13659084
_cell_length_b   7.13659084
_cell_length_c   17.50689302
_cell_angle_alpha   89.97618747
_cell_angle_beta   89.97618747
_cell_angle_gamma   59.98612412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4Cu3(NiSe6)2
_chemical_formula_sum   'Co8 Cu6 Ni4 Se24'
_cell_volume   772.07682082
_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  0.16674700  0.16674700  0.66664000  1.0
  Co  Co1  1  0.83325300  0.83325300  0.33336000  1.0
  Co  Co2  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.16632800  0.66688600  0.66648400  1.0
  Co  Co4  1  0.83367200  0.33311400  0.33351600  1.0
  Co  Co5  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co6  1  0.66688600  0.16632800  0.66648400  1.0
  Co  Co7  1  0.33311400  0.83367200  0.33351600  1.0
  Cu  Cu8  1  0.33338900  0.33338900  0.45857000  1.0
  Cu  Cu9  1  0.99978900  0.99978900  0.12518600  1.0
  Cu  Cu10  1  0.66661900  0.66661900  0.79188400  1.0
  Cu  Cu11  1  0.33338100  0.33338100  0.20811600  1.0
  Cu  Cu12  1  0.00021100  0.00021100  0.87481400  1.0
  Cu  Cu13  1  0.66661100  0.66661100  0.54143000  1.0
  Ni  Ni14  1  0.66679600  0.66679600  0.16672700  1.0
  Ni  Ni15  1  0.33320400  0.33320400  0.83327300  1.0
  Ni  Ni16  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni17  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se18  1  0.15006700  0.15006700  0.41125500  1.0
  Se  Se19  1  0.81666500  0.81666500  0.07809900  1.0
  Se  Se20  1  0.48318200  0.48318200  0.74442400  1.0
  Se  Se21  1  0.00012500  0.00012500  0.26290200  1.0
  Se  Se22  1  0.66812000  0.66812000  0.92943200  1.0
  Se  Se23  1  0.33337700  0.33337700  0.59633800  1.0
  Se  Se24  1  0.69993400  0.14995500  0.41126300  1.0
  Se  Se25  1  0.36607700  0.81884400  0.07859400  1.0
  Se  Se26  1  0.03360100  0.48314600  0.74474200  1.0
  Se  Se27  1  0.14995500  0.69993400  0.41126300  1.0
  Se  Se28  1  0.81884400  0.36607700  0.07859400  1.0
  Se  Se29  1  0.48314600  0.03360100  0.74474200  1.0
  Se  Se30  1  0.51681800  0.51681800  0.25557600  1.0
  Se  Se31  1  0.18333500  0.18333500  0.92190100  1.0
  Se  Se32  1  0.84993300  0.84993300  0.58874500  1.0
  Se  Se33  1  0.66662300  0.66662300  0.40366200  1.0
  Se  Se34  1  0.33188000  0.33188000  0.07056800  1.0
  Se  Se35  1  0.99987500  0.99987500  0.73709800  1.0
  Se  Se36  1  0.96639900  0.51685400  0.25525800  1.0
  Se  Se37  1  0.63392300  0.18115600  0.92140600  1.0
  Se  Se38  1  0.30006600  0.85004500  0.58873700  1.0
  Se  Se39  1  0.51685400  0.96639900  0.25525800  1.0
  Se  Se40  1  0.18115600  0.63392300  0.92140600  1.0
  Se  Se41  1  0.85004500  0.30006600  0.58873700  1.0