data_YNb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   35.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2As
_chemical_formula_sum   'Y1 Nb2 As1'
_cell_volume   83.17
_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  0.12  0.0  0.1  1.0
  Nb  Nb1  1  0.12  0.0  0.22  1.0
  Nb  Nb2  1  0.0  0.0  0.12  1.0
  As  As0  1  0.0  0.0  0.52  1.0

data_YNb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.24
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2As
_chemical_formula_sum   'Y1 Nb2 As1'
_cell_volume   83.17
_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  0.9  0.12  0.9  1.0
  Nb  Nb1  1  0.78  0.12  0.78  1.0
  Nb  Nb2  1  0.88  0.0  0.88  1.0
  As  As3  1  0.48  0.0  0.48  1.0

Y Nb Nb As
Y Nb Nb As 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 