# generated using pymatgen
data_Cs(IrSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79784403
_cell_length_b   8.45247763
_cell_length_c   9.46181916
_cell_angle_alpha   81.17427079
_cell_angle_beta   78.42249412
_cell_angle_gamma   77.01719873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs(IrSe2)4
_chemical_formula_sum   'Cs1 Ir4 Se8'
_cell_volume   288.07620431
_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
  Cs  Cs0  1  0.49988322  0.00007925  0.00015232  1.0
  Ir  Ir1  1  0.63521299  0.19709114  0.53248288  1.0
  Ir  Ir2  1  0.84027878  0.49959206  0.81984838  1.0
  Ir  Ir3  1  0.15974755  0.50041720  0.18008771  1.0
  Ir  Ir4  1  0.36479861  0.80288205  0.46751873  1.0
  Se  Se5  1  0.45692156  0.33018088  0.75597799  1.0
  Se  Se6  1  0.54307858  0.66981807  0.24402378  1.0
  Se  Se7  1  0.89393944  0.63900681  0.57311432  1.0
  Se  Se8  1  0.10610886  0.36091889  0.42686239  1.0
  Se  Se9  1  0.21421017  0.64887135  0.92270731  1.0
  Se  Se10  1  0.78580911  0.35117661  0.07720618  1.0
  Se  Se11  1  0.82933124  0.98425198  0.35708555  1.0
  Se  Se12  1  0.17067890  0.01571372  0.64292848  1.0