data_LiMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.37
_cell_angle_alpha   100.65
_cell_angle_beta   100.65
_cell_angle_gamma   35.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2In
_chemical_formula_sum   'Li1 Mg2 In1'
_cell_volume   87.73
_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  0.44  0.0  0.34  1.0
  Mg  Mg2  1  1.0  0.0  0.03  1.0
  Mg  Mg3  1  0.75  0.0  0.93  1.0
  In  In0  1  0.58  0.0  0.6  1.0

data_LiMg2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.36
_cell_length_c   5.37
_cell_angle_alpha   100.65
_cell_angle_beta   90.0
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2In
_chemical_formula_sum   'Li1 Mg2 In1'
_cell_volume   87.73
_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  0.56  0.66  1.0
  Mg  Mg1  1  0.0  0.0  0.97  1.0
  Mg  Mg2  1  0.0  0.25  0.07  1.0
  In  In3  1  0.0  0.42  0.4  1.0

Li Mg Mg In