data_Li2MgNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   133.79
_cell_angle_beta   133.79
_cell_angle_gamma   67.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgNb
_chemical_formula_sum   'Li2 Mg1 Nb1'
_cell_volume   75.06
_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  0.0  1.0
  Li  Li1  1  0.07  0.0  0.19  1.0
  Mg  Mg2  1  0.0  0.0  0.39  1.0
  Nb  Nb3  1  0.0  0.07  0.19  1.0

data_Li2MgNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.27
_cell_angle_alpha   113.1
_cell_angle_beta   113.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgNb
_chemical_formula_sum   'Li2 Mg1 Nb1'
_cell_volume   75.06
_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  0.0  1.0
  Li  Li1  1  0.81  0.0  0.88  1.0
  Mg  Mg2  1  0.61  0.0  0.61  1.0
  Nb  Nb3  1  0.88  0.07  0.88  1.0

Li Li Mg Nb
Li Li Mg Nb 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 