data_Ti2MnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   145.71
_cell_angle_beta   127.8
_cell_angle_gamma   63.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnW
_chemical_formula_sum   'Ti2 Mn1 W1'
_cell_volume   58.73
_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
  Ti  Ti1  1  0.51  0.0  0.01  1.0
  Ti  Ti2  1  0.0  0.25  0.33  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.33  1.0

data_Ti2MnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.5
_cell_length_c   5.11
_cell_angle_alpha   116.1
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnW
_chemical_formula_sum   'Ti2 Mn1 W1'
_cell_volume   58.73
_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
  Ti  Ti0  1  0.0  0.01  0.5  1.0
  Ti  Ti1  1  0.75  0.08  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.33  0.33  1.0

Ti Ti Mn W