# generated using pymatgen
data_HfSc3(Ta3Si4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65967781
_cell_length_b   6.85123740
_cell_length_c   13.03015823
_cell_angle_alpha   89.92536870
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc3(Ta3Si4)2
_chemical_formula_sum   'Hf2 Sc6 Ta12 Si16'
_cell_volume   594.52696412
_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
  Hf  Hf0  1  0.49903567  0.67471078  0.59686057  1.0
  Hf  Hf1  1  0.99903567  0.82528922  0.90313943  1.0
  Sc  Sc2  1  0.50057449  0.32677449  0.09499816  1.0
  Sc  Sc3  1  0.00057449  0.17322551  0.40500184  1.0
  Sc  Sc4  1  0.50059600  0.32777557  0.40526341  1.0
  Sc  Sc5  1  0.00059600  0.17222443  0.09473659  1.0
  Sc  Sc6  1  0.49757656  0.67351818  0.90524575  1.0
  Sc  Sc7  1  0.99757656  0.82648182  0.59475425  1.0
  Ta  Ta8  1  0.66208904  0.17534753  0.62448416  1.0
  Ta  Ta9  1  0.16208904  0.32465247  0.87551584  1.0
  Ta  Ta10  1  0.33687144  0.82464627  0.12434063  1.0
  Ta  Ta11  1  0.83687144  0.67535373  0.37565937  1.0
  Ta  Ta12  1  0.33889012  0.82319003  0.37613098  1.0
  Ta  Ta13  1  0.83889012  0.67680997  0.12386902  1.0
  Ta  Ta14  1  0.66484969  0.17297423  0.87499122  1.0
  Ta  Ta15  1  0.16484969  0.32702577  0.62500878  1.0
  Ta  Ta16  1  0.83657227  0.49528517  0.75057089  1.0
  Ta  Ta17  1  0.33657227  0.00471483  0.74942911  1.0
  Ta  Ta18  1  0.16372707  0.50670709  0.25000067  1.0
  Ta  Ta19  1  0.66372707  0.99329291  0.24999933  1.0
  Si  Si20  1  0.66879731  0.96742050  0.46132126  1.0
  Si  Si21  1  0.16879731  0.53257950  0.03867874  1.0
  Si  Si22  1  0.32965419  0.03304794  0.96108817  1.0
  Si  Si23  1  0.82965419  0.46695206  0.53891183  1.0
  Si  Si24  1  0.32996557  0.03335382  0.53892302  1.0
  Si  Si25  1  0.82996557  0.46664618  0.96107698  1.0
  Si  Si26  1  0.66961174  0.96708070  0.03868108  1.0
  Si  Si27  1  0.16961174  0.53291930  0.46131892  1.0
  Si  Si28  1  0.45991395  0.38744862  0.75101483  1.0
  Si  Si29  1  0.95991395  0.11255138  0.74898517  1.0
  Si  Si30  1  0.54139778  0.61300616  0.24944735  1.0
  Si  Si31  1  0.04139778  0.88699384  0.25055265  1.0
  Si  Si32  1  0.70365123  0.86301383  0.74994027  1.0
  Si  Si33  1  0.20365123  0.63698617  0.75005973  1.0
  Si  Si34  1  0.29622490  0.13671519  0.25003804  1.0
  Si  Si35  1  0.79622490  0.36328481  0.24996196  1.0