# generated using pymatgen
data_MgTa3(TiRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40661498
_cell_length_b   6.22781244
_cell_length_c   13.21054385
_cell_angle_alpha   89.99996980
_cell_angle_beta   89.99994275
_cell_angle_gamma   89.99996144
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa3(TiRu3)2
_chemical_formula_sum   'Mg2 Ta6 Ti4 Ru12'
_cell_volume   362.54450595
_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  0.99999767  0.99999823  0.00078398  1.0
  Mg  Mg1  1  0.50001676  0.49999925  0.16589406  1.0
  Ta  Ta2  1  0.99999922  0.50000013  0.00388737  1.0
  Ta  Ta3  1  0.50000493  0.99999662  0.16278893  1.0
  Ta  Ta4  1  0.00000536  0.49999847  0.33012316  1.0
  Ta  Ta5  1  0.49999969  0.99999364  0.50025053  1.0
  Ta  Ta6  1  0.99999485  0.50000958  0.66642982  1.0
  Ta  Ta7  1  0.49999321  0.00000395  0.83653838  1.0
  Ti  Ti8  1  0.00000315  0.99999774  0.33294478  1.0
  Ti  Ti9  1  0.49999967  0.49999550  0.50020371  1.0
  Ti  Ti10  1  0.99999567  0.00000633  0.66644486  1.0
  Ti  Ti11  1  0.49999504  0.50000504  0.83371731  1.0
  Ru  Ru12  1  0.49999845  0.25322556  0.99674734  1.0
  Ru  Ru13  1  0.49999846  0.74677417  0.99674645  1.0
  Ru  Ru14  1  0.00000721  0.24676071  0.16994391  1.0
  Ru  Ru15  1  0.00000583  0.75323359  0.16994444  1.0
  Ru  Ru16  1  0.50000250  0.24708662  0.33555770  1.0
  Ru  Ru17  1  0.50000270  0.75290792  0.33555762  1.0
  Ru  Ru18  1  0.99999956  0.24984303  0.49960188  1.0
  Ru  Ru19  1  0.99999953  0.75015483  0.49960081  1.0
  Ru  Ru20  1  0.49999620  0.25010825  0.66704660  1.0
  Ru  Ru21  1  0.49999614  0.74989738  0.66704740  1.0
  Ru  Ru22  1  0.99999562  0.25292126  0.83109755  1.0
  Ru  Ru23  1  0.99999561  0.74708516  0.83109741  1.0