# generated using pymatgen
data_Sc6Te2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76692236
_cell_length_b   7.76679706
_cell_length_c   3.83007120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00363187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Te2Ir
_chemical_formula_sum   'Sc6 Te2 Ir1'
_cell_volume   200.08406657
_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  0.24094680  0.99999197  0.50000000  1.0
  Sc  Sc1  1  0.99998927  0.24094612  0.50000000  1.0
  Sc  Sc2  1  0.75904216  0.75904575  0.50000000  1.0
  Sc  Sc3  1  0.61297792  0.00000103  0.00000000  1.0
  Sc  Sc4  1  0.00000121  0.61298391  -0.00000000  1.0
  Sc  Sc5  1  0.38700230  0.38700218  0.00000000  1.0
  Te  Te6  1  0.33333385  0.66667919  0.50000000  1.0
  Te  Te7  1  0.66667670  0.33332859  0.50000000  1.0
  Ir  Ir8  1  0.00003080  0.00002128  -0.00000000  1.0