data_LiNbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.2
_cell_angle_alpha   96.95
_cell_angle_beta   96.95
_cell_angle_gamma   40.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbAs2
_chemical_formula_sum   'Li1 Nb1 As2'
_cell_volume   68.07
_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
  Li  Li2  1  0.43  0.0  0.7  1.0
  Nb  Nb3  1  0.09  0.0  0.57  1.0
  As  As0  1  0.83  0.0  0.67  1.0
  As  As1  1  0.96  0.0  0.48  1.0

data_LiNbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.2
_cell_length_c   5.04
_cell_angle_alpha   96.95
_cell_angle_beta   110.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbAs2
_chemical_formula_sum   'Li1 Nb1 As2'
_cell_volume   68.07
_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
  Li  Li0  1  0.0  0.7  0.43  1.0
  Nb  Nb1  1  0.0  0.57  0.09  1.0
  As  As2  1  0.0  0.48  0.96  1.0
  As  As3  1  0.0  0.67  0.83  1.0

Li Nb As As