data_NbCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   7.8
_cell_length_c   24.96
_cell_angle_alpha   98.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoTe2
_chemical_formula_sum   'Nb4 Co4 Te8'
_cell_volume   1222.45
_cell_formula_units_Z   4
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  0.48  0.2  0.09  1.0
  Nb  Nb1  1  0.52  0.8  0.1  1.0
  Nb  Nb2  1  0.98  0.3  0.1  1.0
  Nb  Nb3  1  0.02  0.7  0.09  1.0
  Co  Co4  1  0.85  0.98  0.06  1.0
  Co  Co5  1  0.35  0.52  0.13  1.0
  Co  Co6  1  0.65  0.48  0.06  1.0
  Co  Co7  1  0.15  0.02  0.13  1.0
  Te  Te8  1  0.25  0.43  0.03  1.0
  Te  Te9  1  0.75  0.69  0.0  1.0
  Te  Te10  1  0.25  0.81  0.19  1.0
  Te  Te11  1  0.75  0.07  0.16  1.0
  Te  Te12  1  0.75  0.19  0.0  1.0
  Te  Te13  1  0.25  0.31  0.19  1.0
  Te  Te14  1  0.25  0.93  0.03  1.0
  Te  Te15  1  0.75  0.57  0.16  1.0

Nb Nb Nb Nb Co Co Co Co Te Te Te Te Te Te Te Te 0 14 o - o 0 7 o o o 0 8 o o o 0 13 o o o 0 5 o o o 0 2 - o o 0 2 o o o 0 12 o o o 0 4 o - o 0 11 o o o 0 1 o - o 0 6 o o o 1 3 o o o 1 3 + o o 1 5 o o o 1 14 o o o 1 7 o + o 1 10 o o o 1 9 o o o 1 6 o o o 1 15 o o o 1 4 o o o 1 11 o + o 2 12 o o o 2 4 o - o 2 11 o o o 2 6 o o o 2 15 o o o 2 7 + o o 2 8 + o o 2 3 + o o 2 13 + o o 2 5 + o o 3 9 - o o 3 6 - o o 3 15 - o o 3 4 - o o 3 8 o o o 3 5 o o o 3 14 o o o 3 7 o + o 3 10 o o o 4 9 o o o 4 12 o + o 4 11 o + o 4 14 + o o 4 7 + + o 5 8 o o o 5 13 o o o 5 10 o o o 5 6 o o o 5 15 o o o 6 8 o o o 6 12 o o o 6 9 o o o 6 15 o o o 7 11 - o o 7 14 o - o 7 10 o - o 7 13 o o o 
data_NbCoTe2
_symmetry_space_group_name_H-M   P2_1/c
_cell_length_a   24.96
_cell_length_b   6.35
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   98.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   14
_chemical_formula_structural   NbCoTe2
_chemical_formula_sum   'Nb4 Co4 Te8'
_cell_volume   1222.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z+1/2'
  4  'x, -y+1/2, z+1/2'
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  0.0  0.52  0.3  1.0
  Co  Co1  4  0.03  0.15  0.52  1.0
  Te  Te2  4  0.07  0.75  0.07  1.0
  Te  Te3  4  0.09  0.25  0.31  1.0
