data_LiMgNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.69
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgNb2
_chemical_formula_sum   'Li1 Mg1 Nb2'
_cell_volume   72.86
_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  0.69  0.0  0.99  1.0
  Mg  Mg1  1  0.95  0.34  0.33  1.0
  Nb  Nb2  1  0.05  0.0  0.11  1.0
  Nb  Nb3  1  0.5  0.34  0.41  1.0

data_LiMgNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.69
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgNb2
_chemical_formula_sum   'Li1 Mg1 Nb2'
_cell_volume   72.86
_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  0.69  0.0  0.99  1.0
  Mg  Mg1  1  0.95  0.34  0.33  1.0
  Nb  Nb2  1  0.05  0.0  0.11  1.0
  Nb  Nb3  1  0.5  0.34  0.41  1.0

Li Mg Nb Nb