data_NbSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.29
_cell_angle_alpha   92.3
_cell_angle_beta   92.3
_cell_angle_gamma   39.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2As
_chemical_formula_sum   'Nb1 Si2 As1'
_cell_volume   66.55
_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  Nb1  1  0.54  0.0  0.14  1.0
  Si  Si2  1  0.02  0.0  0.02  1.0
  Si  Si3  1  0.05  0.0  0.27  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_NbSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.29
_cell_length_c   4.92
_cell_angle_alpha   92.3
_cell_angle_beta   109.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2As
_chemical_formula_sum   'Nb1 Si2 As1'
_cell_volume   66.55
_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  0.0  0.14  0.54  1.0
  Si  Si1  1  0.0  0.02  0.02  1.0
  Si  Si2  1  0.0  0.27  0.05  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Nb Si Si As