# generated using pymatgen
data_NiTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71941809
_cell_length_b   3.71941809
_cell_length_c   5.15677357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTeSe
_chemical_formula_sum   'Ni1 Te1 Se1'
_cell_volume   61.78151918
_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
  Ni  Ni0  1  -0.00000000  -0.00000000  0.01286765  1.0
  Te  Te1  1  0.66666700  0.33333300  0.74930966  1.0
  Se  Se2  1  0.33333300  0.66666700  0.23782268  1.0