# generated using pymatgen
data_CuSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87355111
_cell_length_b   7.70751864
_cell_length_c   10.90352325
_cell_angle_alpha   105.10137071
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSe2Cl
_chemical_formula_sum   'Cu4 Se8 Cl4'
_cell_volume   395.42500279
_cell_formula_units_Z   4
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  0.63833582  0.07118960  0.24759976  1.0
  Cu  Cu1  1  0.13833582  0.42881040  0.25240024  1.0
  Cu  Cu2  1  0.36166418  0.92881040  0.75240024  1.0
  Cu  Cu3  1  0.86166418  0.57118960  0.74759976  1.0
  Se  Se4  1  0.52962009  0.35305905  0.65499227  1.0
  Se  Se5  1  0.02962009  0.14694095  0.84500773  1.0
  Se  Se6  1  0.47037991  0.64694095  0.34500773  1.0
  Se  Se7  1  0.97037991  0.85305905  0.15499227  1.0
  Se  Se8  1  0.69235034  0.07672663  0.65766072  1.0
  Se  Se9  1  0.19235034  0.42327337  0.84233928  1.0
  Se  Se10  1  0.30764966  0.92327337  0.34233928  1.0
  Se  Se11  1  0.80764966  0.57672663  0.15766072  1.0
  Cl  Cl12  1  0.39011438  0.20501103  0.11915830  1.0
  Cl  Cl13  1  0.89011438  0.29498897  0.38084170  1.0
  Cl  Cl14  1  0.60988562  0.79498897  0.88084170  1.0
  Cl  Cl15  1  0.10988562  0.70501103  0.61915830  1.0