data_Nb4Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   7.78
_cell_angle_alpha   152.18
_cell_angle_beta   152.18
_cell_angle_gamma   39.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Te
_chemical_formula_sum   'Nb4 Te1'
_cell_volume   102.51
_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  0.87  0.0  0.66  1.0
  Nb  Nb1  1  0.0  0.87  0.66  1.0
  Nb  Nb2  1  0.0  0.0  0.75  1.0
  Nb  Nb3  1  0.0  0.0  0.89  1.0
  Te  Te4  1  0.0  0.0  0.0  1.0

data_Nb4Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   109.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb4Te
_chemical_formula_sum   'Nb8 Te2'
_cell_volume   205.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.44  0.21  1.0
  Nb  Nb1  2  0.0  0.0  0.11  1.0
  Nb  Nb2  2  0.0  0.0  0.25  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Te
Nb Nb Nb Nb Te 0 2 + o o 0 3 + o o 1 2 o + o 1 3 o + o 3 4 o o + 