data_NbCo2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Te
_chemical_formula_sum   'Nb1 Co2 Te1'
_cell_volume   61.76
_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  Nb2  1  0.0  0.0  0.32  1.0
  Co  Co0  1  0.0  0.0  0.84  1.0
  Co  Co1  1  0.24  0.0  0.54  1.0
  Te  Te3  1  0.24  0.0  0.19  1.0

data_NbCo2Te
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCo2Te
_chemical_formula_sum   'Nb1 Co2 Te1'
_cell_volume   61.79
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.32  1.0
  Co  Co1  1  0.0  0.0  0.84  1.0
  Co  Co2  1  0.24  0.0  0.54  1.0
  Te  Te3  1  0.24  0.0  0.19  1.0

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