# generated using pymatgen
data_TlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13420600
_cell_length_b   4.80716100
_cell_length_c   12.30476500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe
_chemical_formula_sum   'Tl4 Re4'
_cell_volume   185.39137655
_cell_formula_units_Z   4
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  0.50000000  0.25000000  0.39563100  1.0
  Tl  Tl1  1  0.00000000  0.25000000  0.10436900  1.0
  Tl  Tl2  1  0.50000000  0.75000000  0.60436900  1.0
  Tl  Tl3  1  0.00000000  0.75000000  0.89563100  1.0
  Re  Re4  1  0.50000000  0.25000000  0.82222500  1.0
  Re  Re5  1  0.00000000  0.25000000  0.67777500  1.0
  Re  Re6  1  0.50000000  0.75000000  0.17777500  1.0
  Re  Re7  1  0.00000000  0.75000000  0.32222500  1.0