data_MgTiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.13
_cell_angle_alpha   98.72
_cell_angle_beta   98.72
_cell_angle_gamma   31.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiW2
_chemical_formula_sum   'Mg1 Ti1 W2'
_cell_volume   67.6
_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  0.48  0.0  0.53  1.0
  W  W2  1  0.14  0.0  0.28  1.0
  W  W3  1  0.82  0.0  0.78  1.0

data_MgTiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.07
_cell_length_c   5.13
_cell_angle_alpha   98.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiW2
_chemical_formula_sum   'Mg1 Ti1 W2'
_cell_volume   67.6
_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  0.0  0.52  0.47  1.0
  W  W2  1  0.0  0.18  0.22  1.0
  W  W3  1  0.0  0.86  0.72  1.0

Mg Ti W W