# generated using pymatgen
data_ScTaNb5Sn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76603068
_cell_length_b   5.76196117
_cell_length_c   9.61507119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02336034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaNb5Sn6
_chemical_formula_sum   'Sc1 Ta1 Nb5 Sn6'
_cell_volume   276.58468798
_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  0.00000000  0.00000000  0.00027557  1.0
  Ta  Ta1  1  0.50000000  0.00000000  0.24856631  1.0
  Nb  Nb2  1  0.50000000  0.00000000  0.75129189  1.0
  Nb  Nb3  1  0.50000000  0.50000000  0.75125089  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.75125089  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24842508  1.0
  Nb  Nb6  1  0.00000000  0.50000000  0.24842508  1.0
  Sn  Sn7  1  0.00000000  0.00000000  0.68583911  1.0
  Sn  Sn8  1  0.00000000  0.00000000  0.31504578  1.0
  Sn  Sn9  1  0.33388062  0.66776324  0.49975516  1.0
  Sn  Sn10  1  0.66611938  0.33223676  0.49975516  1.0
  Sn  Sn11  1  0.33363709  0.66727618  0.00006004  1.0
  Sn  Sn12  1  0.66636291  0.33272382  0.00006004  1.0