# generated using pymatgen
data_ScTaNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16624967
_cell_length_b   5.16624874
_cell_length_c   4.20163232
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaNi6
_chemical_formula_sum   'Sc1 Ta1 Ni6'
_cell_volume   97.11792795
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.00000000  1.0
  Ta  Ta1  1  0.66666700  0.33333300  0.50000000  1.0
  Ni  Ni2  1  0.68717345  0.84358623  0.50000000  1.0
  Ni  Ni3  1  0.15641377  0.84358623  0.50000000  1.0
  Ni  Ni4  1  0.15641377  0.31282655  0.50000000  1.0
  Ni  Ni5  1  0.32002189  0.16001045  0.00000000  1.0
  Ni  Ni6  1  0.83998955  0.16001045  0.00000000  1.0
  Ni  Ni7  1  0.83998955  0.67997811  0.00000000  1.0