# generated using pymatgen
data_YTl5Cu2(NO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.60079894
_cell_length_b   10.60079023
_cell_length_c   10.60078931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl5Cu2(NO2)12
_chemical_formula_sum   'Y2 Tl10 Cu4 N24 O48'
_cell_volume   1191.28326600
_cell_formula_units_Z   2
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
  Y  Y0  1  0.50000000  0.50000000  0.50000000  1.0
  Y  Y1  1  -0.00000000  0.00000000  0.00000000  1.0
  Tl  Tl2  1  0.50000000  0.00000000  0.00000000  1.0
  Tl  Tl3  1  -0.00000000  0.50000000  0.00000000  1.0
  Tl  Tl4  1  -0.00000000  0.00000000  0.50000000  1.0
  Tl  Tl5  1  0.50000000  0.50000000  0.00000000  1.0
  Tl  Tl6  1  0.50000000  0.00000000  0.50000000  1.0
  Tl  Tl7  1  -0.00000000  0.50000000  0.50000000  1.0
  Tl  Tl8  1  0.25000000  0.75000000  0.25000000  1.0
  Tl  Tl9  1  0.75000000  0.25000000  0.25000000  1.0
  Tl  Tl10  1  0.25000000  0.25000000  0.75000000  1.0
  Tl  Tl11  1  0.75000000  0.75000000  0.75000000  1.0
  Cu  Cu12  1  0.75000000  0.25000000  0.75000000  1.0
  Cu  Cu13  1  0.25000000  0.75000000  0.75000000  1.0
  Cu  Cu14  1  0.75000000  0.75000000  0.25000000  1.0
  Cu  Cu15  1  0.25000000  0.25000000  0.25000000  1.0
  N  N16  1  0.24400781  0.05458896  0.23993985  1.0
  N  N17  1  0.55458881  0.73993975  0.25599180  1.0
  N  N18  1  0.55458881  0.26006025  0.74400820  1.0
  N  N19  1  0.44541119  0.73993975  0.74400820  1.0
  N  N20  1  0.26006056  0.74400770  0.55458852  1.0
  N  N21  1  0.74400781  0.44541104  0.73993985  1.0
  N  N22  1  0.74400781  0.55458896  0.26006015  1.0
  N  N23  1  0.73993944  0.25599230  0.55458852  1.0
  N  N24  1  0.25599219  0.55458896  0.73993985  1.0
  N  N25  1  0.73993944  0.74400770  0.44541148  1.0
  N  N26  1  0.26006056  0.25599230  0.44541148  1.0
  N  N27  1  0.25599219  0.44541104  0.26006015  1.0
  N  N28  1  0.44541119  0.26006025  0.25599180  1.0
  N  N29  1  0.94541119  0.76006025  0.24400820  1.0
  N  N30  1  0.94541119  0.23993975  0.75599180  1.0
  N  N31  1  0.05458881  0.76006025  0.75599180  1.0
  N  N32  1  0.05458881  0.23993975  0.24400820  1.0
  N  N33  1  0.23993944  0.75599230  0.94541148  1.0
  N  N34  1  0.23993944  0.24400770  0.05458852  1.0
  N  N35  1  0.76006056  0.75599230  0.05458852  1.0
  N  N36  1  0.24400781  0.94541104  0.76006015  1.0
  N  N37  1  0.76006056  0.24400770  0.94541148  1.0
  N  N38  1  0.75599219  0.94541104  0.23993985  1.0
  N  N39  1  0.75599219  0.05458896  0.76006015  1.0
  O  O40  1  0.49600457  0.84212213  0.25358637  1.0
  O  O41  1  0.34212190  0.75358628  0.00399510  1.0
  O  O42  1  0.99600457  0.65787787  0.75358637  1.0
  O  O43  1  0.00399543  0.34212213  0.75358637  1.0
  O  O44  1  0.00399543  0.65787787  0.24641363  1.0
  O  O45  1  0.50399543  0.15787787  0.25358637  1.0
  O  O46  1  0.25358615  0.50399521  0.15787784  1.0
  O  O47  1  0.15787810  0.25358628  0.50399510  1.0
  O  O48  1  0.84212190  0.74641372  0.50399510  1.0
  O  O49  1  0.25358615  0.49600479  0.84212216  1.0
  O  O50  1  0.84212190  0.25358628  0.49600490  1.0
  O  O51  1  0.74641385  0.49600479  0.15787784  1.0
  O  O52  1  0.74641385  0.50399521  0.84212216  1.0
  O  O53  1  0.15787810  0.74641372  0.49600490  1.0
  O  O54  1  0.50399543  0.84212213  0.74641363  1.0
  O  O55  1  0.49600457  0.15787787  0.74641363  1.0
  O  O56  1  0.99570162  0.14222629  0.20906032  1.0
  O  O57  1  0.20906075  0.99570187  0.14222661  1.0
  O  O58  1  0.14222725  0.20906098  0.99570228  1.0
  O  O59  1  0.85777275  0.79093902  0.99570228  1.0
  O  O60  1  0.20906075  0.00429813  0.85777339  1.0
  O  O61  1  0.85777275  0.20906098  0.00429772  1.0
  O  O62  1  0.79093925  0.00429813  0.14222661  1.0
  O  O63  1  0.79093925  0.99570187  0.85777339  1.0
  O  O64  1  0.14222725  0.79093902  0.00429772  1.0
  O  O65  1  0.99570162  0.85777371  0.79093968  1.0
  O  O66  1  0.00429838  0.14222629  0.79093968  1.0
  O  O67  1  0.00429838  0.85777371  0.20906032  1.0
  O  O68  1  0.50429838  0.35777371  0.29093968  1.0
  O  O69  1  0.29093925  0.50429813  0.35777339  1.0
  O  O70  1  0.35777275  0.29093902  0.50429772  1.0
  O  O71  1  0.64222725  0.70906098  0.50429772  1.0
  O  O72  1  0.29093925  0.49570187  0.64222661  1.0
  O  O73  1  0.64222725  0.29093902  0.49570228  1.0
  O  O74  1  0.70906075  0.49570187  0.35777339  1.0
  O  O75  1  0.70906075  0.50429813  0.64222661  1.0
  O  O76  1  0.35777275  0.70906098  0.49570228  1.0
  O  O77  1  0.50429838  0.64222629  0.70906032  1.0
  O  O78  1  0.49570162  0.35777371  0.70906032  1.0
  O  O79  1  0.49570162  0.64222629  0.29093968  1.0
  O  O80  1  0.99600457  0.34212213  0.24641363  1.0
  O  O81  1  0.24641385  0.99600479  0.34212216  1.0
  O  O82  1  0.75358615  0.99600479  0.65787784  1.0
  O  O83  1  0.65787810  0.75358628  0.99600490  1.0
  O  O84  1  0.24641385  0.00399521  0.65787784  1.0
  O  O85  1  0.65787810  0.24641372  0.00399510  1.0
  O  O86  1  0.75358615  0.00399521  0.34212216  1.0
  O  O87  1  0.34212190  0.24641372  0.99600490  1.0