# generated using pymatgen
data_Zr3(TiRe12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39543490
_cell_length_b   8.39543447
_cell_length_c   8.40656624
_cell_angle_alpha   109.46995861
_cell_angle_beta   109.46995490
_cell_angle_gamma   109.42003443
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3(TiRe12)2
_chemical_formula_sum   'Zr3 Ti2 Re24'
_cell_volume   456.42623739
_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
  Zr  Zr0  1  0.00328413  0.00328413  1.00000000  1.0
  Zr  Zr1  1  0.62908494  0.99949285  0.00000000  1.0
  Zr  Zr2  1  0.99949285  0.62908494  0.00000000  1.0
  Ti  Ti3  1  0.99982089  0.99982089  0.62784141  1.0
  Ti  Ti4  1  0.37197948  0.37197948  0.37215859  1.0
  Re  Re5  1  0.39496094  0.67589793  0.00000000  1.0
  Re  Re6  1  0.71984940  0.32385650  0.32414755  1.0
  Re  Re7  1  0.39570185  0.99970895  0.67585245  1.0
  Re  Re8  1  0.67589793  0.39496094  0.00000000  1.0
  Re  Re9  1  0.99970895  0.39570185  0.67585245  1.0
  Re  Re10  1  0.32385650  0.71984940  0.32414755  1.0
  Re  Re11  1  0.31743767  0.31743767  0.71931560  1.0
  Re  Re12  1  0.99956428  0.68270158  0.39975824  1.0
  Re  Re13  1  0.68270158  0.99956428  0.39975824  1.0
  Re  Re14  1  0.59812207  0.59812207  0.28068440  1.0
  Re  Re15  1  0.28294333  0.59980604  0.60024176  1.0
  Re  Re16  1  0.59980604  0.28294333  0.60024176  1.0
  Re  Re17  1  0.37450821  0.19329007  1.00000000  1.0
  Re  Re18  1  0.18282774  0.80669100  0.80429778  1.0
  Re  Re19  1  0.37852996  0.00239322  0.19570222  1.0
  Re  Re20  1  0.19329007  0.37450821  1.00000000  1.0
  Re  Re21  1  0.00239322  0.37852996  0.19570222  1.0
  Re  Re22  1  0.80669100  0.18282774  0.80429778  1.0
  Re  Re23  1  0.80579031  0.80579031  0.18513926  1.0
  Re  Re24  1  0.00280611  0.19540724  0.37765955  1.0
  Re  Re25  1  0.19540724  0.00280611  0.37765955  1.0
  Re  Re26  1  0.62065105  0.62065105  0.81486074  1.0
  Re  Re27  1  0.81774769  0.62514656  0.62234045  1.0
  Re  Re28  1  0.62514656  0.81774769  0.62234045  1.0