data_Li2MgIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.23
_cell_angle_alpha   102.18
_cell_angle_beta   102.18
_cell_angle_gamma   35.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgIn
_chemical_formula_sum   'Li2 Mg1 In1'
_cell_volume   82.95
_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  Li1  1  0.31  0.0  0.36  1.0
  Li  Li2  1  0.62  0.0  0.74  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.47  0.0  0.55  1.0

data_Li2MgIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.23
_cell_length_c   5.3
_cell_angle_alpha   102.18
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgIn
_chemical_formula_sum   'Li2 Mg1 In1'
_cell_volume   82.95
_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  0.36  0.31  1.0
  Li  Li1  1  0.0  0.74  0.62  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.55  0.47  1.0

Li Li Mg In
Li Li Mg In 0 3 o o o 0 2 o o o 1 3 o o o 1 2 + o + 