data_NbCrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrSb2
_chemical_formula_sum   'Nb1 Cr1 Sb2'
_cell_volume   80.94
_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  0.0  0.28  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.76  0.76  0.86  1.0
  Sb  Sb3  1  0.76  0.76  0.71  1.0

data_NbCrSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCrSb2
_chemical_formula_sum   'Nb2 Cr2 Sb4'
_cell_volume   161.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.28  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.26  0.5  0.71  1.0
  Sb  Sb3  2  0.26  0.5  0.86  1.0

Nb Cr Sb Sb
Nb Cr Sb Sb 0 1 o o o 1 2 - - - 2 3 o o o 