data_NbCoTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   141.04
_cell_angle_beta   141.04
_cell_angle_gamma   56.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoTe
_chemical_formula_sum   'Nb1 Co1 Te1'
_cell_volume   52.43
_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  0.1  1.0
  Co  Co0  1  0.0  0.0  0.94  1.0
  Te  Te2  1  0.0  0.0  0.99  1.0

data_NbCoTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   118.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCoTe
_chemical_formula_sum   'Nb2 Co2 Te2'
_cell_volume   104.86
_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  2  0.0  0.0  0.9  1.0
  Co  Co1  2  0.0  0.0  0.06  1.0
  Te  Te2  2  0.0  0.0  0.01  1.0

Nb Co Te
Nb Co Te 0 2 o o - 1 2 o o o 