data_Nb2CoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   140.29
_cell_angle_beta   128.29
_cell_angle_gamma   67.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoSb
_chemical_formula_sum   'Nb2 Co1 Sb1'
_cell_volume   67.31
_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  0.24  0.12  1.0
  Nb  Nb2  1  0.0  0.0  0.13  1.0
  Co  Co0  1  0.0  0.0  0.42  1.0
  Sb  Sb3  1  0.0  0.24  0.19  1.0

data_Nb2CoSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.49
_cell_length_c   5.15
_cell_angle_alpha   115.85
_cell_angle_beta   109.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoSb
_chemical_formula_sum   'Nb2 Co1 Sb1'
_cell_volume   67.31
_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  0.13  0.13  1.0
  Nb  Nb1  1  0.76  0.88  0.88  1.0
  Co  Co2  1  0.0  0.42  0.42  1.0
  Sb  Sb3  1  0.76  0.95  0.95  1.0

Nb Nb Co Sb
Nb Nb Co Sb 0 3 o o o 1 3 o o o 1 2 o o o 