data_MgTi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   139.07
_cell_angle_beta   131.04
_cell_angle_gamma   65.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2W
_chemical_formula_sum   'Mg1 Ti2 W1'
_cell_volume   68.66
_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  0.21  1.0
  Ti  Ti1  1  0.0  0.16  0.33  1.0
  Ti  Ti2  1  0.0  0.0  0.49  1.0
  W  W3  1  0.0  0.16  0.1  1.0

data_MgTi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.31
_cell_length_c   5.2
_cell_angle_alpha   114.48
_cell_angle_beta   110.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2W
_chemical_formula_sum   'Mg1 Ti2 W1'
_cell_volume   68.66
_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  0.21  0.21  1.0
  Ti  Ti1  1  0.0  0.49  0.49  1.0
  Ti  Ti2  1  0.84  0.17  0.17  1.0
  W  W3  1  0.84  0.94  0.94  1.0

Mg Ti Ti W