data_NbAlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   4.22
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlCr2
_chemical_formula_sum   'Nb1 Al1 Cr2'
_cell_volume   56.44
_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  Nb3  1  0.9  0.0  0.55  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.64  0.11  0.18  1.0
  Cr  Cr2  1  0.17  0.11  0.91  1.0

data_NbAlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.22
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlCr2
_chemical_formula_sum   'Nb1 Al1 Cr2'
_cell_volume   56.44
_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  0.9  0.0  0.55  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.17  0.11  0.91  1.0
  Cr  Cr3  1  0.64  0.11  0.18  1.0

Nb Al Cr Cr