# generated using pymatgen
data_U12Ir4Se31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86193800
_cell_length_b   11.86193800
_cell_length_c   11.86193800
_cell_angle_alpha   109.55181029
_cell_angle_beta   109.55181029
_cell_angle_gamma   109.31016128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U12Ir4Se31
_chemical_formula_sum   'U12 Ir4 Se31'
_cell_volume   1284.82058338
_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
  U  U0  1  0.99906700  0.29501600  0.70405200  1.0
  U  U1  1  0.40903600  0.70498400  0.70405200  1.0
  U  U2  1  0.30148300  0.30148300  0.60296600  1.0
  U  U3  1  0.29501600  0.59096400  0.29594800  1.0
  U  U4  1  0.29501600  0.99906700  0.70405200  1.0
  U  U5  1  0.30148300  0.69851700  0.00000000  1.0
  U  U6  1  0.70498400  0.00093300  0.29594800  1.0
  U  U7  1  0.70498400  0.40903600  0.70405200  1.0
  U  U8  1  0.69851700  0.69851700  0.39703400  1.0
  U  U9  1  0.59096400  0.29501600  0.29594800  1.0
  U  U10  1  0.69851700  0.30148300  0.00000000  1.0
  U  U11  1  0.00093300  0.70498400  0.29594800  1.0
  Ir  Ir12  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir13  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir14  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir15  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se16  1  0.00071100  0.56352700  0.81817800  1.0
  Se  Se17  1  0.99928900  0.81746700  0.56281700  1.0
  Se  Se18  1  0.25465100  0.81746700  0.81817800  1.0
  Se  Se19  1  0.25000000  0.75000000  0.50000000  1.0
  Se  Se20  1  0.23450200  0.50000000  0.73450200  1.0
  Se  Se21  1  0.18818100  0.18818100  0.74875400  1.0
  Se  Se22  1  0.18253300  0.74534900  0.18182200  1.0
  Se  Se23  1  0.25465100  0.43647300  0.43718300  1.0
  Se  Se24  1  0.18818100  0.43942700  0.00000000  1.0
  Se  Se25  1  0.18253300  0.00071100  0.43718300  1.0
  Se  Se26  1  0.43647300  0.99928900  0.18182200  1.0
  Se  Se27  1  0.56057300  0.56057300  0.74875400  1.0
  Se  Se28  1  0.56352700  0.74534900  0.56281700  1.0
  Se  Se29  1  0.50000000  0.76549800  0.26549800  1.0
  Se  Se30  1  0.50000000  0.23450200  0.73450200  1.0
  Se  Se31  1  0.43647300  0.25465100  0.43718300  1.0
  Se  Se32  1  0.43942700  0.43942700  0.25124600  1.0
  Se  Se33  1  0.56352700  0.00071100  0.81817800  1.0
  Se  Se34  1  0.56057300  0.81181900  0.00000000  1.0
  Se  Se35  1  0.81746700  0.99928900  0.56281700  1.0
  Se  Se36  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se37  1  0.74534900  0.56352700  0.56281700  1.0
  Se  Se38  1  0.43942700  0.18818100  0.00000000  1.0
  Se  Se39  1  0.81746700  0.25465100  0.81817800  1.0
  Se  Se40  1  0.81181900  0.81181900  0.25124600  1.0
  Se  Se41  1  0.76549800  0.50000000  0.26549800  1.0
  Se  Se42  1  0.75000000  0.25000000  0.50000000  1.0
  Se  Se43  1  0.74534900  0.18253300  0.18182200  1.0
  Se  Se44  1  0.81181900  0.56057300  0.00000000  1.0
  Se  Se45  1  0.00071100  0.18253300  0.43718300  1.0
  Se  Se46  1  0.99928900  0.43647300  0.18182200  1.0