data_MgTi2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   148.11
_cell_angle_beta   128.26
_cell_angle_gamma   62.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2In
_chemical_formula_sum   'Mg1 Ti2 In1'
_cell_volume   77.17
_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  0.0  0.0  0.35  1.0
  Ti  Ti2  1  0.57  0.0  0.1  1.0
  Ti  Ti3  1  0.0  0.0  0.36  1.0
  In  In0  1  0.57  0.0  0.9  1.0

data_MgTi2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.0
_cell_length_c   5.73
_cell_angle_alpha   115.87
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2In
_chemical_formula_sum   'Mg1 Ti2 In1'
_cell_volume   77.17
_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  0.0  0.35  0.35  1.0
  Ti  Ti1  1  0.0  0.1  0.53  1.0
  Ti  Ti2  1  0.0  0.36  0.36  1.0
  In  In3  1  0.0  0.9  0.33  1.0

Mg Ti Ti In