data_YNbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   141.89
_cell_angle_beta   141.89
_cell_angle_gamma   54.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbAs2
_chemical_formula_sum   'Y1 Nb1 As2'
_cell_volume   82.72
_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
  Y  Y3  1  0.0  0.0  0.34  1.0
  Nb  Nb2  1  0.97  0.0  0.67  1.0
  As  As0  1  0.0  0.97  0.67  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_YNbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.03
_cell_angle_alpha   109.05
_cell_angle_beta   109.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbAs2
_chemical_formula_sum   'Y1 Nb1 As2'
_cell_volume   82.72
_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
  Y  Y0  1  0.34  0.34  0.34  1.0
  Nb  Nb1  1  0.67  0.71  0.71  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.71  0.67  0.71  1.0

Y Nb As As