data_Mg2TiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   3.0
_cell_angle_alpha   102.44
_cell_angle_beta   102.44
_cell_angle_gamma   119.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiIn
_chemical_formula_sum   'Mg2 Ti1 In1'
_cell_volume   83.25
_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
  Mg  Mg1  1  0.85  0.43  0.35  1.0
  Mg  Mg2  1  0.85  0.57  0.35  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.99  0.0  0.0  1.0

data_Mg2TiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.42
_cell_length_c   5.95
_cell_angle_alpha   115.79
_cell_angle_beta   102.44
_cell_angle_gamma   94.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiIn
_chemical_formula_sum   'Mg2 Ti1 In1'
_cell_volume   83.25
_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
  Mg  Mg0  1  0.78  0.43  0.28  1.0
  Mg  Mg1  1  0.93  0.57  0.42  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.99  1.0

Mg Mg Ti In