# generated using pymatgen
data_Cu9Se4(Cl3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32225027
_cell_length_b   8.28914673
_cell_length_c   11.95654833
_cell_angle_alpha   79.81930007
_cell_angle_beta   74.66961957
_cell_angle_gamma   67.58222426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu9Se4(Cl3O7)2
_chemical_formula_sum   'Cu9 Se4 Cl6 O14'
_cell_volume   556.60176609
_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  0.87837900  0.14945600  0.09378700  1.0
  Cu  Cu1  1  0.28911800  0.15649700  0.26526600  1.0
  Cu  Cu2  1  0.38445200  0.44631600  0.78478100  1.0
  Cu  Cu3  1  0.61554800  0.55368400  0.21521900  1.0
  Cu  Cu4  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu5  1  0.12162100  0.85054400  0.90621300  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu7  1  0.71088200  0.84350300  0.73473400  1.0
  Cu  Cu8  1  0.00000000  0.50000000  0.00000000  1.0
  Se  Se9  1  0.96055400  0.27372800  0.80516400  1.0
  Se  Se10  1  0.03944600  0.72627200  0.19483600  1.0
  Se  Se11  1  0.25407800  0.85408500  0.63775900  1.0
  Se  Se12  1  0.74592200  0.14591500  0.36224100  1.0
  Cl  Cl13  1  0.36711900  0.19541400  0.07034800  1.0
  Cl  Cl14  1  0.44874100  0.74132700  0.36119100  1.0
  Cl  Cl15  1  0.63288100  0.80458600  0.92965200  1.0
  Cl  Cl16  1  0.55125900  0.25867300  0.63880900  1.0
  Cl  Cl17  1  0.16394800  0.22508100  0.44702300  1.0
  Cl  Cl18  1  0.83605200  0.77491900  0.55297700  1.0
  O  O19  1  0.75861100  0.40367700  0.07910100  1.0
  O  O20  1  0.91938500  0.59397600  0.15420600  1.0
  O  O21  1  0.36851100  0.62737700  0.63560100  1.0
  O  O22  1  0.33243200  0.59397600  0.15420600  1.0
  O  O23  1  0.98415600  0.11088500  0.92080200  1.0
  O  O24  1  0.38088300  0.87804300  0.74598300  1.0
  O  O25  1  0.00490900  0.12195700  0.25401700  1.0
  O  O26  1  0.66756800  0.40602400  0.84579400  1.0
  O  O27  1  0.08061500  0.40602400  0.84579400  1.0
  O  O28  1  0.01584400  0.88911500  0.07919800  1.0
  O  O29  1  0.24138900  0.59632300  0.92089900  1.0
  O  O30  1  0.63148900  0.37262300  0.36439900  1.0
  O  O31  1  0.99509100  0.87804300  0.74598300  1.0
  O  O32  1  0.61911700  0.12195700  0.25401700  1.0