data_NbCoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   5.8
_cell_angle_alpha   108.26
_cell_angle_beta   108.26
_cell_angle_gamma   37.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoSb2
_chemical_formula_sum   'Nb1 Co1 Sb2'
_cell_volume   75.91
_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  0.56  0.0  0.74  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.03  0.0  0.17  1.0
  Sb  Sb3  1  0.1  0.0  0.31  1.0

data_NbCoSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.78
_cell_length_c   5.8
_cell_angle_alpha   108.26
_cell_angle_beta   90.0
_cell_angle_gamma   108.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoSb2
_chemical_formula_sum   'Nb1 Co1 Sb2'
_cell_volume   75.91
_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  0.0  0.44  0.26  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.9  0.69  1.0
  Sb  Sb3  1  0.0  0.97  0.83  1.0

Nb Co Sb Sb