# generated using pymatgen
data_Cu15Bi4(Se4I)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08805300
_cell_length_b   9.68311284
_cell_length_c   23.06501945
_cell_angle_alpha   90.60392380
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu15Bi4(Se4I)4
_chemical_formula_sum   'Cu15 Bi4 Se16 I4'
_cell_volume   912.97988650
_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  0.75000000  0.36808400  0.29573400  1.0
  Cu  Cu1  1  0.75000000  0.86025600  0.20783000  1.0
  Cu  Cu2  1  0.25000000  0.63306600  0.70525800  1.0
  Cu  Cu3  1  0.25000000  0.14061400  0.79316800  1.0
  Cu  Cu4  1  0.75000000  0.47714400  0.73671200  1.0
  Cu  Cu5  1  0.75000000  0.97599100  0.76057700  1.0
  Cu  Cu6  1  0.25000000  0.52010000  0.26370100  1.0
  Cu  Cu7  1  0.25000000  0.02392600  0.24040100  1.0
  Cu  Cu8  1  0.75000000  0.35077700  0.90501000  1.0
  Cu  Cu9  1  0.75000000  0.84836900  0.59449400  1.0
  Cu  Cu10  1  0.25000000  0.65015500  0.09518800  1.0
  Cu  Cu11  1  0.25000000  0.15285000  0.40838000  1.0
  Cu  Cu12  1  0.75000000  0.96121400  0.03008100  1.0
  Cu  Cu13  1  0.25000000  0.53069300  0.52306600  1.0
  Cu  Cu14  1  0.25000000  0.03864300  0.97008000  1.0
  Bi  Bi15  1  0.75000000  0.28249000  0.12406200  1.0
  Bi  Bi16  1  0.75000000  0.77507600  0.37964500  1.0
  Bi  Bi17  1  0.25000000  0.71794200  0.87634300  1.0
  Bi  Bi18  1  0.25000000  0.22017400  0.62044600  1.0
  Se  Se19  1  0.75000000  0.45599400  0.57206100  1.0
  Se  Se20  1  0.75000000  0.95718300  0.92132100  1.0
  Se  Se21  1  0.25000000  0.55970100  0.42067000  1.0
  Se  Se22  1  0.25000000  0.04252000  0.07872800  1.0
  Se  Se23  1  0.75000000  0.03868100  0.65842900  1.0
  Se  Se24  1  0.75000000  0.53635700  0.84044300  1.0
  Se  Se25  1  0.25000000  0.96414100  0.34217800  1.0
  Se  Se26  1  0.25000000  0.46400600  0.15955500  1.0
  Se  Se27  1  0.75000000  0.16671600  0.23139000  1.0
  Se  Se28  1  0.75000000  0.65915800  0.27000800  1.0
  Se  Se29  1  0.25000000  0.83441900  0.76912600  1.0
  Se  Se30  1  0.25000000  0.33789000  0.72994100  1.0
  Se  Se31  1  0.75000000  0.14167200  0.84491500  1.0
  Se  Se32  1  0.75000000  0.63402100  0.65112200  1.0
  Se  Se33  1  0.25000000  0.85879400  0.15575400  1.0
  Se  Se34  1  0.25000000  0.36652100  0.35075300  1.0
  I  I35  1  0.75000000  0.17988100  0.47917900  1.0
  I  I36  1  0.75000000  0.68391800  0.02459800  1.0
  I  I37  1  0.25000000  0.81241200  0.52472800  1.0
  I  I38  1  0.25000000  0.31585000  0.97513400  1.0