data_NaMgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   151.35
_cell_angle_beta   126.66
_cell_angle_gamma   61.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgTi
_chemical_formula_sum   'Na1 Mg1 Ti1'
_cell_volume   67.04
_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  Na1  1  0.0  0.0  0.4  1.0
  Mg  Mg0  1  0.0  0.0  0.54  1.0
  Ti  Ti2  1  0.0  0.0  0.3  1.0

data_NaMgTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.03
_cell_length_c   5.6
_cell_angle_alpha   116.67
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgTi
_chemical_formula_sum   'Na1 Mg1 Ti1'
_cell_volume   67.04
_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  0.6  0.6  0.6  1.0
  Mg  Mg1  1  0.46  0.46  0.46  1.0
  Ti  Ti2  1  0.7  0.7  0.7  1.0

Na Mg Ti