data_NaMg2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   6.23
_cell_angle_alpha   94.93
_cell_angle_beta   94.93
_cell_angle_gamma   31.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Ti
_chemical_formula_sum   'Na1 Mg2 Ti1'
_cell_volume   94.63
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.1  0.0  0.45  1.0
  Mg  Mg1  1  0.68  0.0  0.76  1.0
  Ti  Ti3  1  0.89  0.0  0.1  1.0

data_NaMg2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.37
_cell_length_c   6.23
_cell_angle_alpha   94.93
_cell_angle_beta   90.0
_cell_angle_gamma   105.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Ti
_chemical_formula_sum   'Na1 Mg2 Ti1'
_cell_volume   94.63
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.32  0.24  1.0
  Mg  Mg2  1  0.0  0.9  0.55  1.0
  Ti  Ti3  1  0.0  0.11  0.9  1.0

Na Mg Mg Ti