data_LiMgNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   154.9
_cell_angle_beta   150.71
_cell_angle_gamma   38.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgNb
_chemical_formula_sum   'Li1 Mg1 Nb1'
_cell_volume   50.11
_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  0.0  0.61  1.0
  Mg  Mg1  1  0.0  0.0  0.87  1.0
  Nb  Nb2  1  0.0  0.0  0.02  1.0

data_LiMgNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.15
_cell_length_c   6.23
_cell_angle_alpha   104.64
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgNb
_chemical_formula_sum   'Li1 Mg1 Nb1'
_cell_volume   50.11
_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  0.61  0.61  1.0
  Mg  Mg1  1  0.0  0.87  0.87  1.0
  Nb  Nb2  1  0.0  0.02  0.02  1.0

Li Mg Nb