data_NbCoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   6.36
_cell_length_c   25.35
_cell_angle_alpha   90.0
_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   1250.79
_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  Nb4  1  0.21  0.5  0.3  1.0
  Nb  Nb5  1  0.29  0.0  0.3  1.0
  Nb  Nb6  1  0.79  0.5  0.3  1.0
  Nb  Nb7  1  0.71  0.0  0.3  1.0
  Co  Co0  1  0.5  0.64  0.27  1.0
  Co  Co1  1  0.0  0.86  0.27  1.0
  Co  Co2  1  0.0  0.14  0.34  1.0
  Co  Co3  1  0.5  0.36  0.34  1.0
  Te  Te8  1  0.75  0.75  0.21  1.0
  Te  Te9  1  0.25  0.75  0.21  1.0
  Te  Te10  1  0.0  0.25  0.24  1.0
  Te  Te11  1  0.5  0.25  0.24  1.0
  Te  Te12  1  0.75  0.25  0.4  1.0
  Te  Te13  1  0.25  0.25  0.4  1.0
  Te  Te14  1  0.5  0.75  0.37  1.0
  Te  Te15  1  0.0  0.75  0.37  1.0

Nb Nb Nb Nb Co Co Co Co Te Te Te Te Te Te Te Te 0 10 o o o 0 6 o o o 0 5 o o o 0 15 o o o 0 2 - o o 0 11 o o o 0 13 o o o 0 7 o o o 0 1 o o o 0 1 o + o 0 9 o o o 0 4 o o o 0 14 o o o 1 9 o - o 1 5 o - o 1 15 o - o 1 10 o o o 1 13 o o o 1 6 o o o 1 4 o - o 1 14 o - o 1 11 o o o 1 7 o o o 1 3 o o o 2 11 o o o 2 12 o o o 2 7 o o o 2 3 o o o 2 3 o + o 2 8 o o o 2 4 o o o 2 14 o o o 2 10 + o o 2 6 + o o 2 5 + o o 2 15 + o o 3 4 o - o 3 14 o - o 3 11 o o o 3 7 o o o 3 5 + - o 3 8 o - o 3 15 + - o 3 10 + o o 3 6 + o o 3 12 o o o 4 9 o o o 4 11 o o o 4 7 o o o 4 8 o o o 4 14 o o o 5 8 - o o 5 9 o o o 5 15 o o o 5 10 o + o 5 6 o + o 6 12 - o o 6 15 o - o 6 10 o o o 6 13 o o o 7 13 o o o 7 11 o o o 7 12 o o o 7 14 o o o 
data_NbCoTe2
_symmetry_space_group_name_H-M   Pmna
_cell_length_a   7.76
_cell_length_b   25.35
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   53
_chemical_formula_structural   NbCoTe2
_chemical_formula_sum   'Nb4 Co4 Te8'
_cell_volume   1250.79
_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+1/2, -y, z+1/2'
  4  'x+1/2, y, -z+1/2'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x+1/2, y, -z+1/2'
  8  'x+1/2, -y, 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  0.21  0.5  0.5  1.0
  Co  Co1  4  0.0  0.47  0.86  1.0
  Te  Te2  4  0.0  0.43  0.25  1.0
  Te  Te3  4  0.25  0.41  0.75  1.0
