data_MgTiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   141.35
_cell_angle_beta   132.35
_cell_angle_gamma   62.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiNi2
_chemical_formula_sum   'Mg1 Ti1 Ni2'
_cell_volume   55.31
_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  0.0  0.35  1.0
  Ti  Ti3  1  0.64  0.0  0.1  1.0
  Ni  Ni1  1  0.64  0.0  0.05  1.0
  Ni  Ni2  1  0.0  0.0  0.17  1.0

data_MgTiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.0
_cell_length_c   4.95
_cell_angle_alpha   113.82
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiNi2
_chemical_formula_sum   'Mg1 Ti1 Ni2'
_cell_volume   55.31
_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  0.65  0.65  0.65  1.0
  Ti  Ti1  1  0.53  0.9  0.53  1.0
  Ni  Ni2  1  0.59  0.95  0.59  1.0
  Ni  Ni3  1  0.83  0.83  0.83  1.0

Mg Ti Ni Ni