data_NbAlCr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlCr4
_chemical_formula_sum   'Nb2 Al2 Cr8'
_cell_volume   162.28
_cell_formula_units_Z   2
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  0.45  0.41  0.32  1.0
  Nb  Nb1  1  0.0  0.83  0.49  1.0
  Al  Al2  1  0.0  0.83  0.4  1.0
  Al  Al3  1  0.45  0.41  0.4  1.0
  Cr  Cr4  1  0.0  0.0  0.9  1.0
  Cr  Cr5  1  0.0  0.0  0.0  1.0
  Cr  Cr6  1  0.64  0.73  0.99  1.0
  Cr  Cr7  1  0.45  0.79  0.99  1.0
  Cr  Cr8  1  0.26  0.73  0.99  1.0
  Cr  Cr9  1  0.81  0.52  0.81  1.0
  Cr  Cr10  1  0.0  0.45  0.81  1.0
  Cr  Cr11  1  0.19  0.52  0.81  1.0

data_NbAlCr4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlCr4
_chemical_formula_sum   'Nb2 Al2 Cr8'
_cell_volume   162.28
_cell_formula_units_Z   2
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  0.83  0.49  1.0
  Nb  Nb1  1  0.45  0.41  0.32  1.0
  Al  Al2  1  0.0  0.83  0.4  1.0
  Al  Al3  1  0.45  0.41  0.4  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.0  0.0  0.9  1.0
  Cr  Cr6  1  0.0  0.45  0.81  1.0
  Cr  Cr7  1  0.19  0.52  0.81  1.0
  Cr  Cr8  1  0.26  0.73  0.99  1.0
  Cr  Cr9  1  0.45  0.79  0.99  1.0
  Cr  Cr10  1  0.64  0.73  0.99  1.0
  Cr  Cr11  1  0.81  0.52  0.81  1.0

Nb Nb Al Al Cr Cr Cr Cr Cr Cr Cr Cr