data_NbTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   139.02
_cell_angle_beta   139.02
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe2Au
_chemical_formula_sum   'Nb1 Te2 Au1'
_cell_volume   89.05
_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
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.08  0.0  0.58  1.0
  Te  Te3  1  0.0  0.0  0.16  1.0
  Au  Au0  1  0.0  0.08  0.58  1.0

data_NbTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.94
_cell_angle_alpha   110.49
_cell_angle_beta   110.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe2Au
_chemical_formula_sum   'Nb1 Te2 Au1'
_cell_volume   89.05
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.42  0.0  0.5  1.0
  Te  Te2  1  0.84  0.0  0.84  1.0
  Au  Au3  1  0.5  0.08  0.5  1.0

Nb Te Te Au