# generated using pymatgen
data_Cu6PbSe2Cl5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86081292
_cell_length_b   9.86081292
_cell_length_c   15.49120645
_cell_angle_alpha   62.89691296
_cell_angle_beta   62.89691296
_cell_angle_gamma   37.06974725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu6PbSe2Cl5O8
_chemical_formula_sum   'Cu12 Pb2 Se4 Cl10 O16'
_cell_volume   796.28168871
_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
  Cu  Cu0  1  0.34814000  0.34814000  0.83410000  1.0
  Cu  Cu1  1  0.93075700  0.93075700  0.46544400  1.0
  Cu  Cu2  1  0.06924300  0.06924300  0.53455600  1.0
  Cu  Cu3  1  0.56036800  0.56036800  0.04732400  1.0
  Cu  Cu4  1  0.76788300  0.26099300  0.74322000  1.0
  Cu  Cu5  1  0.43963200  0.43963200  0.95267600  1.0
  Cu  Cu6  1  0.23211700  0.73900700  0.25678000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu8  1  0.65186000  0.65186000  0.16590000  1.0
  Cu  Cu9  1  0.26099300  0.76788300  0.74322000  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu11  1  0.73900700  0.23211700  0.25678000  1.0
  Pb  Pb12  1  0.79386600  0.79386600  0.36063200  1.0
  Pb  Pb13  1  0.20613400  0.20613400  0.63936800  1.0
  Se  Se14  1  0.12660700  0.12660700  0.29103200  1.0
  Se  Se15  1  0.87339300  0.87339300  0.70896800  1.0
  Se  Se16  1  0.64231300  0.64231300  0.80031600  1.0
  Se  Se17  1  0.35768700  0.35768700  0.19968400  1.0
  Cl  Cl18  1  0.30478900  0.30478900  0.00523900  1.0
  Cl  Cl19  1  0.58627500  0.58627500  0.55085800  1.0
  Cl  Cl20  1  0.93689900  0.93689900  0.91977300  1.0
  Cl  Cl21  1  0.06310100  0.06310100  0.08022700  1.0
  Cl  Cl22  1  0.78999300  0.78999300  0.55941800  1.0
  Cl  Cl23  1  0.21000700  0.21000700  0.44058200  1.0
  Cl  Cl24  1  0.23797300  0.23797300  0.81249400  1.0
  Cl  Cl25  1  0.76202700  0.76202700  0.18750600  1.0
  Cl  Cl26  1  0.69521100  0.69521100  0.99476100  1.0
  Cl  Cl27  1  0.41372500  0.41372500  0.44914200  1.0
  O  O28  1  0.40260800  0.83181600  0.74950100  1.0
  O  O29  1  0.68882400  0.12512800  0.74755400  1.0
  O  O30  1  0.94765600  0.94765600  0.58272200  1.0
  O  O31  1  0.12512800  0.68882400  0.74755400  1.0
  O  O32  1  0.31117600  0.87487200  0.25244600  1.0
  O  O33  1  0.83181600  0.40260800  0.74950100  1.0
  O  O34  1  0.87487200  0.31117600  0.25244600  1.0
  O  O35  1  0.59739200  0.16818400  0.25049900  1.0
  O  O36  1  0.16818400  0.59739200  0.25049900  1.0
  O  O37  1  0.55839300  0.55839300  0.92016300  1.0
  O  O38  1  0.93289700  0.93289700  0.33952700  1.0
  O  O39  1  0.05234400  0.05234400  0.41727800  1.0
  O  O40  1  0.44160700  0.44160700  0.07983700  1.0
  O  O41  1  0.54002300  0.54002300  0.18081600  1.0
  O  O42  1  0.45997700  0.45997700  0.81918400  1.0
  O  O43  1  0.06710300  0.06710300  0.66047300  1.0