# generated using pymatgen
data_Mg3TiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16419680
_cell_length_b   8.16419680
_cell_length_c   8.16419680
_cell_angle_alpha   59.99986282
_cell_angle_beta   59.99986282
_cell_angle_gamma   59.99986282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3TiNi2
_chemical_formula_sum   'Mg12 Ti4 Ni8'
_cell_volume   384.79023855
_cell_formula_units_Z   4
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  0.80728300  0.80728300  0.19271768  1.0
  Mg  Mg1  1  0.19271599  0.19271599  0.80728406  1.0
  Mg  Mg2  1  0.80728300  0.19271768  0.80728300  1.0
  Mg  Mg3  1  0.19271599  0.80728406  0.19271599  1.0
  Mg  Mg4  1  0.19271768  0.80728300  0.80728300  1.0
  Mg  Mg5  1  0.80728406  0.19271599  0.19271599  1.0
  Mg  Mg6  1  0.44271700  0.44271700  0.05728232  1.0
  Mg  Mg7  1  0.05728401  0.05728401  0.44271594  1.0
  Mg  Mg8  1  0.44271700  0.05728232  0.44271700  1.0
  Mg  Mg9  1  0.05728401  0.44271594  0.05728401  1.0
  Mg  Mg10  1  0.05728232  0.44271700  0.44271700  1.0
  Mg  Mg11  1  0.44271594  0.05728401  0.05728401  1.0
  Ti  Ti12  1  0.12500000  0.62500000  0.62500000  1.0
  Ti  Ti13  1  0.62500000  0.12500000  0.62500000  1.0
  Ti  Ti14  1  0.62500000  0.62500000  0.12500000  1.0
  Ti  Ti15  1  0.62500000  0.62500000  0.62500000  1.0
  Ni  Ni16  1  0.73920134  0.42026716  0.42026716  1.0
  Ni  Ni17  1  0.42026716  0.73920134  0.42026716  1.0
  Ni  Ni18  1  0.42026716  0.42026716  0.73920134  1.0
  Ni  Ni19  1  0.42026644  0.42026644  0.42026644  1.0
  Ni  Ni20  1  0.51079866  0.82973284  0.82973284  1.0
  Ni  Ni21  1  0.82973284  0.51079866  0.82973284  1.0
  Ni  Ni22  1  0.82973284  0.82973284  0.51079866  1.0
  Ni  Ni23  1  0.82973356  0.82973356  0.82973356  1.0