data_MgTi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   140.82
_cell_angle_beta   124.79
_cell_angle_gamma   69.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2W
_chemical_formula_sum   'Mg1 Ti2 W1'
_cell_volume   69.83
_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  0.0  1.0
  Ti  Ti1  1  0.73  0.0  0.3  1.0
  Ti  Ti2  1  0.0  0.39  0.93  1.0
  W  W3  1  0.0  0.0  0.23  1.0

data_MgTi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.78
_cell_length_c   5.16
_cell_angle_alpha   117.61
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2W
_chemical_formula_sum   'Mg1 Ti2 W1'
_cell_volume   69.83
_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  0.0  1.0
  Ti  Ti1  1  0.07  0.46  0.46  1.0
  Ti  Ti2  1  0.43  0.7  0.43  1.0
  W  W3  1  0.77  0.77  0.77  1.0

Mg Ti Ti W