data_LiYNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.73
_cell_length_c   3.02
_cell_angle_alpha   79.38
_cell_angle_beta   78.14
_cell_angle_gamma   22.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYNb
_chemical_formula_sum   'Li1 Y1 Nb1'
_cell_volume   67.84
_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  0.07  0.2  0.74  1.0
  Y  Y2  1  0.07  0.2  0.1  1.0
  Nb  Nb1  1  0.07  0.2  0.95  1.0

data_LiYNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   14.89
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   133.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiYNb
_chemical_formula_sum   'Li2 Y2 Nb2'
_cell_volume   135.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.49  0.5  0.19  1.0
  Y  Y1  2  0.13  0.5  0.82  1.0
  Nb  Nb2  2  0.28  0.5  0.98  1.0

Li Y Nb