# generated using pymatgen
data_Sc6NiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75673557
_cell_length_b   7.75673620
_cell_length_c   3.76029828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00004208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6NiTe2
_chemical_formula_sum   'Sc6 Ni1 Te2'
_cell_volume   195.93442737
_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  0.23662452  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.76337448  0.76337548  0.50000000  1.0
  Sc  Sc2  1  0.00000000  0.23662452  0.50000000  1.0
  Sc  Sc3  1  0.60833400  -0.00000000  0.00000000  1.0
  Sc  Sc4  1  0.39166600  0.39166600  -0.00000000  1.0
  Sc  Sc5  1  -0.00000000  0.60833400  0.00000000  1.0
  Ni  Ni6  1  -0.00000000  -0.00000000  0.00000000  1.0
  Te  Te7  1  0.33333300  0.66666700  0.50000000  1.0
  Te  Te8  1  0.66666700  0.33333300  0.50000000  1.0