# generated using pymatgen
data_Sc2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97092034
_cell_length_b   3.97091987
_cell_length_c   13.30125501
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TeSe
_chemical_formula_sum   'Sc4 Te2 Se2'
_cell_volume   181.63752253
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.89243951  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.10756049  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.39243951  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.60756049  1.0
  Te  Te4  1  0.33333300  0.66666700  0.25000000  1.0
  Te  Te5  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se6  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se7  1  0.00000000  0.00000000  0.00000000  1.0