# generated using pymatgen
data_Tl2Cu(I2N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.61440500
_cell_length_b   7.66312100
_cell_length_c   11.15947533
_cell_angle_alpha   70.98642302
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Cu(I2N)4
_chemical_formula_sum   'Tl4 Cu2 I16 N8'
_cell_volume   1181.58566813
_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
  Tl  Tl0  1  0.31281000  0.31655500  0.00018200  1.0
  Tl  Tl1  1  0.18719000  0.81655500  0.50018200  1.0
  Tl  Tl2  1  0.68719000  0.68344500  0.99981800  1.0
  Tl  Tl3  1  0.81281000  0.18344500  0.49981800  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  I  I6  1  0.36844700  0.68201600  0.96689500  1.0
  I  I7  1  0.13155300  0.18201600  0.46689500  1.0
  I  I8  1  0.63155300  0.31798400  0.03310500  1.0
  I  I9  1  0.86844700  0.81798400  0.53310500  1.0
  I  I10  1  0.34817300  0.20182300  0.78411400  1.0
  I  I11  1  0.15182700  0.70182300  0.28411400  1.0
  I  I12  1  0.65182700  0.79817700  0.21588600  1.0
  I  I13  1  0.84817300  0.29817700  0.71588600  1.0
  I  I14  1  0.37845100  0.06674300  0.22949900  1.0
  I  I15  1  0.12154900  0.56674300  0.72949900  1.0
  I  I16  1  0.62154900  0.93325700  0.77050100  1.0
  I  I17  1  0.87845100  0.43325700  0.27050100  1.0
  I  I18  1  0.10761200  0.27561400  0.04984500  1.0
  I  I19  1  0.39238800  0.77561400  0.54984500  1.0
  I  I20  1  0.89238800  0.72438600  0.95015500  1.0
  I  I21  1  0.60761200  0.22438600  0.45015500  1.0
  N  N22  1  0.84432900  0.07906800  0.14736000  1.0
  N  N23  1  0.65567100  0.57906800  0.64736000  1.0
  N  N24  1  0.15567100  0.92093200  0.85264000  1.0
  N  N25  1  0.34432900  0.42093200  0.35264000  1.0
  N  N26  1  0.09273500  0.97157500  0.88748000  1.0
  N  N27  1  0.40726500  0.47157500  0.38748000  1.0
  N  N28  1  0.90726500  0.02842500  0.11252000  1.0
  N  N29  1  0.59273500  0.52842500  0.61252000  1.0