# generated using pymatgen
data_Mg2Zr(TaRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45103744
_cell_length_b   6.29846933
_cell_length_c   13.34080283
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99957389
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zr(TaRu2)3
_chemical_formula_sum   'Mg4 Zr2 Ta6 Ru12'
_cell_volume   374.00570923
_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
  Mg  Mg0  1  0.99990217  0.00000000  0.33619422  1.0
  Mg  Mg1  1  0.49999258  0.49999900  0.50201325  1.0
  Mg  Mg2  1  0.00009505  0.00000000  0.66464659  1.0
  Mg  Mg3  1  0.50007593  0.49999900  0.83047224  1.0
  Zr  Zr4  1  0.99999644  0.00000000  0.99716550  1.0
  Zr  Zr5  1  0.49993844  0.49999900  0.16950139  1.0
  Ta  Ta6  1  0.99999456  0.49999900  0.99103647  1.0
  Ta  Ta7  1  0.49994812  0.00000000  0.17563510  1.0
  Ta  Ta8  1  0.99995006  0.49999900  0.34527593  1.0
  Ta  Ta9  1  0.50000678  0.00000000  0.50274083  1.0
  Ta  Ta10  1  0.00006063  0.49999900  0.66392496  1.0
  Ta  Ta11  1  0.50003925  0.00000000  0.82139094  1.0
  Ru  Ru12  1  0.49999500  0.25026503  0.00068892  1.0
  Ru  Ru13  1  0.49999500  0.74973397  0.00068892  1.0
  Ru  Ru14  1  0.99994944  0.24973230  0.16597930  1.0
  Ru  Ru15  1  0.99994944  0.75026670  0.16597930  1.0
  Ru  Ru16  1  0.49994062  0.25091725  0.33316938  1.0
  Ru  Ru17  1  0.49994062  0.74908275  0.33316938  1.0
  Ru  Ru18  1  0.99999930  0.24951883  0.50070992  1.0
  Ru  Ru19  1  0.99999930  0.75048117  0.50070992  1.0
  Ru  Ru20  1  0.50006121  0.25048088  0.66595595  1.0
  Ru  Ru21  1  0.50006121  0.74951912  0.66595595  1.0
  Ru  Ru22  1  0.00004792  0.24908191  0.83349832  1.0
  Ru  Ru23  1  0.00004792  0.75091709  0.83349832  1.0