data_NbCrAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.14
_cell_angle_alpha   148.68
_cell_angle_beta   147.78
_cell_angle_gamma   45.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrAs2
_chemical_formula_sum   'Nb1 Cr1 As2'
_cell_volume   63.87
_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  0.0  0.7  0.34  1.0
  Cr  Cr2  1  0.0  0.0  0.22  1.0
  As  As0  1  0.0  0.0  0.37  1.0
  As  As1  1  0.66  0.0  0.38  1.0

data_NbCrAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.41
_cell_length_c   6.14
_cell_angle_alpha   106.11
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrAs2
_chemical_formula_sum   'Nb1 Cr1 As2'
_cell_volume   63.87
_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  0.3  0.64  0.64  1.0
  Cr  Cr1  1  0.0  0.22  0.22  1.0
  As  As2  1  0.0  0.37  0.37  1.0
  As  As3  1  0.0  0.38  0.72  1.0

Nb Cr As As